643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:I-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(IC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(IC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,4|H<1>}	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<6>}	I(C[6a]C[6a]2)2	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)(O)	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(CC)	122.1780	0.000	1	122.1780	0.000	1	119.1085	2.811	6	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(CC)	119.9230	0.000	1	119.9230	0.000	1	119.1085	2.811	6	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CC)	118.1375	0.258	4	118.1375	0.067	4	119.1085	2.811	6	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(NS)	120.2120	0.069	2	120.2120	0.005	2	120.1486	4.082	5	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(NS)	123.2910	0.000	1	123.2910	0.000	1	120.1486	4.082	5	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(NS)	118.5140	1.047	2	118.5140	1.095	2	120.1486	4.082	5	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(OH)	121.4990	0.000	2	121.4990	0.000	2	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OI)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(OI)	120.8580	0.000	1	120.8580	0.000	1	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(IO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OH)	119.2110	0.000	1	119.2110	0.000	1	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(OC)	118.9370	0.536	2	118.6873	0.193	4	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OC)	118.4375	0.204	2	118.6873	0.193	4	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OH)	118.5726	1.279	8	118.4978	1.482	9	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(IO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OH)	117.8990	0.000	1	118.4978	1.482	9	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OI)	C[6a](C[6a]C[6a]H)2(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(OI)	118.7805	3.095	4	118.6230	2.016	22	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(OI)	C[6a](C[6a]C[6a]H)2(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OI)	118.5880	0.890	18	118.6230	2.016	22	118.8206	1.981	39	118.9879	2.318	50	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(IC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	115.5350	0.000	1	115.5350	0.000	1	115.5350	0.000	1	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(IC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	I(C[6a]C[6a]2)2	118.2420	0.819	2	118.2420	0.670	2	118.2420	0.670	2	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(IC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	118.7315	0.532	4	118.7315	0.283	4	118.9353	0.500	6	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(IC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	119.3430	1.072	2	119.3430	1.149	2	118.9353	0.500	6	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(IC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	118.0215	0.613	2	118.0215	0.376	2	118.0215	0.376	2	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CCC)	118.9290	1.438	3	118.9290	2.067	3	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(CCH)	121.1955	1.019	2	121.1955	1.038	2	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(CCP)	119.4760	0.000	1	119.4760	0.000	1	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CC[6a]C)	120.7100	0.000	1	120.7100	0.000	1	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(CCC)	122.5790	0.000	1	122.5790	0.000	1	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(IC){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCH)	118.1202	0.675	4	118.1202	0.456	4	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CCC)	118.9740	0.844	2	118.9740	0.713	2	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CCH)	118.6298	0.476	4	118.4317	0.813	16	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCH)	118.3657	1.013	12	118.4317	0.813	16	118.9093	1.830	30	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(IC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(IC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(C[5]C[5]2)	118.9087	0.776	4	118.9087	0.603	4	118.9087	0.603	4	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)(C[6]C[6]2)	121.7550	0.000	1	121.7550	0.000	1	118.6282	3.272	9	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(IC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(IC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(C[6]C[6]2)	118.2374	1.472	8	118.2374	2.168	8	118.6282	3.272	9	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(IC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)2	119.2655	0.334	2	119.2655	0.112	2	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|C<4>,2|C<3>}	I(C[6a]C[6a]2)2	115.7672	0.439	5	115.7672	0.192	5	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|F<1>,2|C<3>}	I(C[6a]C[6a]2)2	117.1700	0.000	2	117.1700	0.000	2	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)2	116.2890	0.325	2	118.7270	5.181	12	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)2	119.2146	2.176	10	118.7270	5.181	12	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)2	117.2730	0.000	1	117.2730	0.000	1	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(IC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<6>}	I(C[6a]C[6a]2)2	118.0020	0.000	1	118.0020	0.000	1	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)2	117.1300	0.000	1	117.8797	7.044	3	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	118.2545	3.639	2	117.8797	7.044	3	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[5,6,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[5,6,6a]2)(C[6a]C[6a]2)	118.5910	1.345	4	118.5910	1.810	4	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.8585	0.433	2	117.8585	0.188	2	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)2	119.9320	0.000	1	118.7176	0.934	74	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	117.6640	0.000	1	118.7176	0.934	74	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)2	118.3635	0.132	2	118.7176	0.934	74	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)2	119.0748	0.660	18	118.7176	0.934	74	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	118.6045	1.038	52	118.7176	0.934	74	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(IC[6a])	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(IC[6a]){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	120.1900	0.000	1	120.1900	0.000	1	118.5114	1.873	107	118.5898	1.864	161	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCFF)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CCFF)	112.4940	0.000	1	112.4940	0.000	1	115.7578	9.660	9	116.0972	9.738	10	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)(CF3)	115.6995	4.040	4	115.4003	10.008	6	115.7578	9.660	9	116.0972	9.738	10	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(CF3)	114.8020	0.016	2	115.4003	10.008	6	115.7578	9.660	9	116.0972	9.738	10	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(CCFF)	C[6a](C[6a]C[6a]H)2(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Si<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)(CCFF)	118.4620	1.093	2	118.4620	1.195	2	115.7578	9.660	9	116.0972	9.738	10	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)(C[3]C[3]2C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)(C[3]C[3]2C)	119.1520	0.000	1	119.1520	0.000	1	119.1520	0.000	1	116.0972	9.738	10	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CC)	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	116.0333	3.825	3	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(NS)	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	116.0333	3.825	3	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(OI)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OI)	117.2210	0.000	1	117.2210	0.000	1	117.2210	0.000	1	116.0333	3.825	3	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCC)	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	114.8045	1.516	2	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(IC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(C[6]C[6]2)	115.6750	0.000	1	115.6750	0.000	1	115.6750	0.000	1	114.8045	1.516	2	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	I(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(O)	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CC)	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	116.9344	1.693	5	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(NS)	118.2600	0.000	1	118.2600	0.000	1	117.4320	1.371	2	116.9344	1.693	5	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	I(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(NS)	116.6040	0.000	1	116.6040	0.000	1	117.4320	1.371	2	116.9344	1.693	5	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(OH)	117.4760	0.000	2	117.4760	0.000	2	117.4760	0.000	2	116.9344	1.693	5	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCH)	116.1325	0.125	2	116.1325	0.016	2	116.5150	0.447	3	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCP)	117.2800	0.000	1	117.2800	0.000	1	116.5150	0.447	3	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]C)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]C){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	119.5683	1.469	4	119.5683	2.159	4	116.0764	7.283	16	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	117.0400	0.683	3	117.0400	0.466	3	116.0764	7.283	16	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	115.9720	0.518	3	115.9720	0.268	3	116.0764	7.283	16	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)2	113.3188	0.904	6	113.3188	0.818	6	116.0764	7.283	16	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(IC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|F<1>,3|C<3>,3|H<1>}	I(C[6a]C[6a]2)2	121.0910	0.000	2	121.0910	0.000	2	121.0910	0.000	2	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	116.7650	7.859	22	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CF3)	122.9075	0.114	2	122.9075	0.013	2	122.9075	0.013	2	121.5920	5.198	3	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)(C[3]C[3]2C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(C[3]C[3]2C)	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	121.5920	5.198	3	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHH){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)2	119.5400	0.461	2	119.5400	0.213	2	119.9186	0.458	5	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CCHO){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)2	119.7660	0.396	2	119.7660	0.157	2	119.9186	0.458	5	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(IC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(CHHO){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)2	120.9810	0.000	1	120.9810	0.000	1	119.9186	0.458	5	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCC)	118.4013	1.708	3	118.4013	2.917	3	118.0118	2.552	4	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CC[6a]C)	116.8430	0.000	1	116.8430	0.000	1	118.0118	2.552	4	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	119.6450	0.000	1	119.6450	0.000	1	119.6193	6.626	28	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)2	120.2290	0.000	1	120.2290	0.000	1	119.6193	6.626	28	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)2	117.4695	0.535	2	117.4695	0.287	2	119.6193	6.626	28	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)2	118.3486	0.948	18	119.7720	7.324	24	119.6193	6.626	28	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(IC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(IC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)2	124.0423	1.208	6	119.7720	7.324	24	119.6193	6.626	28	119.4860	5.514	37	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)(CCFF)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CCFF)	122.9810	0.000	1	122.9810	0.000	1	121.1564	17.558	5	121.1564	17.558	5	118.5658	4.233	301	118.5703	4.225	302
643	643	953	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(IC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)(CF3)	120.7002	4.693	4	120.7002	22.023	4	121.1564	17.558	5	121.1564	17.558	5	118.5658	4.233	301	118.5703	4.225	302
643	643	955	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[5,6,6]	4:3:3:	3:3:1:	6:3:3:3:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	Nb[3,5,6,6]-6:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]P[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	P[5,6,6](Nb[3,5,6,6]C[3,5]N[3]N[6]2C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]P[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	P[5,6,6](Nb[3,5,6,6]C[3,5]N[3]N[6]2C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2{2|C<4>,4|H<1>,9|C<3>}	123.3265	1.177	2	123.3265	1.386	2	123.3265	1.386	2	123.3265	1.386	2	122.1223	2.508	4	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[5,6,6]	4:3:3:	3:3:1:	8:3:3:3:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	Nb[3x3,5,6,6]-8:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]P[5,6,6]C[6,6a])(C[6a]C[6a]H)(H)	P[5,6,6](Nb[3x3,5,6,6]C[3,5]S[3,3]N[3]N[6]2O[3]2)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<5>,2|O<2>,3|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]P[5,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<4>,1|H<1>,3|C<3>}	P[5,6,6](Nb[3x3,5,6,6]C[3,5]S[3,3]N[3]N[6]2O[3]2)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2{1|O<1>,3|C<4>,4|H<1>,9|C<3>}	120.9180	0.580	2	120.9180	0.336	2	120.9180	0.336	2	120.9180	0.336	2	122.1223	2.508	4	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O)	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O){4|H<1>,5|C<3>}	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	122.2187	0.314	3	122.2187	0.314	3	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:S-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S)	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S){4|H<1>,5|C<3>}	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	122.2187	0.314	3	122.2187	0.314	3	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6,6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:Se-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se)	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se){4|H<1>,5|C<3>}	121.9470	0.000	1	121.9470	0.000	1	121.9470	0.000	1	122.2187	0.314	3	122.2187	0.314	3	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P[5]	3:3:4:	3:3:2:	3:3:3:4:	C[6,6a]-3:C[6a]-3:P[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[5]-3:C[5]-3:C[5]-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,5|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H){1|O<2>,1|P<3>,5|H<1>,8|C<3>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	123.3450	0.356	2	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,5|C<4>,7|C<3>}	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	123.3450	0.356	2	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P[5,6]	4:3:3:	3:3:3:	4:3:4:1:	P[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:O-1:	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a]P[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(O)	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[6a]P[5,6]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(O){1|N<3>,3|C<3>,6|H<1>}	120.3115	0.269	2	120.3115	0.073	2	120.3115	0.073	2	120.3115	0.073	2	120.3115	0.073	2	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[6a,6a]-3:P[5]-4:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(P[5]C[5,5a]2O)(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(P[5]C[5,5a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a,6a]C[6a])(O){2|S<2>,3|H<1>,5|C<3>}	120.4630	0.221	2	120.4630	0.049	2	120.4630	0.049	2	120.4630	0.049	2	120.3950	0.038	3	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P[5]	3:4:3:	3:3:3:	3:3:4:1:	C[6a,6a]-3:P[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O){3|H<1>,6|C<3>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	120.3950	0.038	3	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5,6]	4:3:3:	3:3:4:	3:3:4:3:	P[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6]-3:C[5,5]-4:C[6a]-3:	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CC3)	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2)	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CC3){3|C<3>,3|C<4>}	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	119.4765	0.705	2	119.4765	0.497	2	119.7647	2.688	4	119.7647	2.688	4	119.4891	4.328	10	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5,6]	4:3:3:	3:3:4:	3:3:4:3:	P[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[5,6]-3:C[5,5]-4:C[6a]-3:	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH)	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2)	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH){3|C<3>,3|C<4>}	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	120.0530	2.690	2	120.0530	7.235	2	119.7647	2.688	4	119.7647	2.688	4	119.4891	4.328	10	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5,6]	4:3:3:	3:3:4:	4:4:4:3:	P[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CC3)	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CC3){1|C<3>,5|C<4>}	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	117.6580	0.068	2	117.6580	0.005	2	119.3053	6.077	6	119.3053	6.077	6	119.4891	4.328	10	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5,6]	4:3:3:	3:3:4:	4:4:4:3:	P[5,5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH)	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](P[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	120.1290	2.723	4	120.1290	7.413	4	119.3053	6.077	6	119.3053	6.077	6	119.4891	4.328	10	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	3:3:4:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	C[6a](P[5,5]C[5,6a]2Ga[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ga[5,5]S[5]2C)(C[6a]C[6a]2)	C[6a](P[5,5]C[5,6a]2Ga[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|S<2>,5|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|Ga<4>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ga[5,5]S[5]2C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0720	1.226	6	120.0720	1.504	6	120.1925	1.204	8	120.1925	1.204	8	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	3:3:4:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	C[6a](P[5,5]C[5,6a]2Ga[5,5])(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ga[5,5]S[5]2S)(C[6a]C[6a]2)	C[6a](P[5,5]C[5,6a]2Ga[5,5])(C[6a]C[6a]H)2{2|H<1>,3|S<2>,5|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|Ga<4>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ga[5,5]S[5]2S)(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.5540	0.748	2	120.5540	0.560	2	120.1925	1.204	8	120.1925	1.204	8	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	3:3:6:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:Ge[4x5]-6:C[6a]-3:	C[6a](P[5,5]C[5,6a]2Ge[4x5])(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[4x5]P[5,5]S[5]4)(C[6a]C[6a]2)	C[6a](P[5,5]C[5,6a]2Ge[4x5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|S<2>,5|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|Ge<6>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[4x5]P[5,5]S[5]4)(C[6a]C[6a]2){11|C<3>,4|H<1>}	120.3653	2.295	4	120.3653	5.265	4	120.3653	5.265	4	120.4966	8.700	8	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	3:3:6:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:In[4x5]-6:C[6a]-3:	C[6a](P[5,5]C[5,6a]2In[4x5])(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(In[4x5]P[5,5]S[5]4)(C[6a]C[6a]2)	C[6a](P[5,5]C[5,6a]2In[4x5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|S<2>,5|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|In<6>,2|H<1>,3|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(In[4x5]P[5,5]S[5]4)(C[6a]C[6a]2){11|C<3>,4|H<1>}	120.6280	3.871	4	120.6280	14.988	4	120.6280	14.988	4	120.4966	8.700	8	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	4:4:3:1:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:S-1:	C[6a](P[5,5]C[5,5,6]2S)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S)	C[6a](P[5,5]C[5,5,6]2S)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(S){3|C<3>,3|C<4>,4|H<1>}	120.1295	2.354	2	120.1295	5.541	2	120.1295	5.541	2	120.1295	5.541	2	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	4:4:3:4:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:C-4:	C[6a](P[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(CH3)	C[6a](P[5,5]C[5,5,6]2C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	P[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[6a]C[6a]2)(CH3){2|C<4>,4|C<3>,4|H<1>}	119.7660	0.762	2	119.7660	0.581	2	119.7660	0.581	2	119.7660	0.581	2	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	5:4:4:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[4x5]-5:C[5]-4:C[5]-4:C[6a]-3:	C[6a](P[5,5]Nb[4x5]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](Nb[4x5]N[5,5]2P[5,5]N)(C[5]Si[5]HH)2(C[6a]C[6a]2)	C[6a](P[5,5]Nb[4x5]C[5]2)(C[6a]C[6a]H)2{2|Si<4>,1|C<3>,1|N<2>,1|P<4>,2|N<3>,6|H<1>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<3>,2|C<4>,2|H<1>}	P[5,5](Nb[4x5]N[5,5]2P[5,5]N)(C[5]Si[5]HH)2(C[6a]C[6a]2){2|Si<4>,2|H<1>,3|C<3>,6|C<4>}	120.7974	1.304	8	120.7974	1.701	8	120.7974	1.701	8	120.7974	1.701	8	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,5]	4:3:3:	3:3:1:	6:4:4:3:	P[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3,4x5]-6:C[5]-4:C[5]-4:C[6a]-3:	C[6a](P[5,5]Nb[3,4x5]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	P[5,5](Nb[3,4x5]N[5,5]2P[5,5]C[3]2)(C[5]Si[5]HH)2(C[6a]C[6a]2)	C[6a](P[5,5]Nb[3,4x5]C[5]2)(C[6a]C[6a]H)2{2|Si<4>,1|P<4>,2|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<3>,2|C<4>,2|H<1>}	P[5,5](Nb[3,4x5]N[5,5]2P[5,5]C[3]2)(C[5]Si[5]HH)2(C[6a]C[6a]2){2|Si<4>,3|H<1>,4|C<3>,6|C<4>}	120.8555	1.223	4	120.8555	1.496	4	120.8555	1.496	4	120.8555	1.496	4	120.4720	3.069	32	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	4:3:4:1:	P[5,6]-4:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:O-1:	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P[5,6])(C[6a]C[6a]H)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(O)	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]HH)(O){1|N<3>,3|C<3>,6|H<1>}	120.2730	0.280	2	120.2730	0.078	2	120.2730	0.078	2	120.2730	0.078	2	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	4:4:3:1:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-1:	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O)	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O){1|C<4>,2|C<3>,7|H<1>}	120.2265	6.147	2	120.4215	19.934	10	120.4215	19.934	10	120.4215	19.934	10	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	4:4:3:1:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-1:	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O)	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O){1|N<3>,2|C<3>,7|H<1>}	120.6525	6.728	2	120.4215	19.934	10	120.4215	19.934	10	120.4215	19.934	10	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:1:	4:4:3:1:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-1:	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H)	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O)	C[6a](P[5,6]C[5,5,6]C[5,6]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)(O){2|C<3>,2|C<4>,6|H<1>}	120.4095	4.386	6	120.4215	19.934	10	120.4215	19.934	10	120.4215	19.934	10	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:4:	4:3:4:4:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6a](P[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CC3)	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](P[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CC3){1|C<3>,5|C<4>}	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|B<3>,2|C<4>,4|C<3>,4|H<1>}	118.5840	0.769	2	118.5840	0.592	2	118.5840	0.592	2	118.5840	0.592	2	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:4:	4:4:3:4:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[6a](P[5,6]B[5,6]C[5,6]C[5])(C[6a]C[6a]C)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CC3)	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](P[5,6]B[5,6]C[5,6]C[5])(C[6a]C[6a]C)2{1|B<4>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,4|C<4>}	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,4|C<4>,5|C<3>,5|H<1>}	119.5505	1.809	2	119.5505	3.274	2	119.8285	2.412	4	119.8285	2.412	4	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5,6]	4:3:3:	3:3:4:	4:4:3:4:	P[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[6a](P[5,6]B[5,6]C[5,6]C[5])(C[6a]C[6a]C)2	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CCCH)	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](P[5,6]B[5,6]C[5,6]C[5])(C[6a]C[6a]C)2{1|B<4>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]P[5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,4|C<4>}	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,4|C<4>,5|C<3>,5|H<1>}	120.1065	1.911	2	120.1065	3.653	2	119.8285	2.412	4	119.8285	2.412	4	120.0691	11.370	18	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:O-1:	C[6a](C[6a]C[6a]H)2(P[5]O[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(O[5]C[5])2(O)	C[6a](C[6a]C[6a]H)2(P[5]O[5]2O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	P[5](C[6a]C[6a]2)(O[5]C[5])2(O){4|C<3>,4|H<1>}	120.6250	2.273	2	120.6250	5.165	2	120.6250	5.165	2	120.6928	3.535	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:2:2:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:S-1:	C[6a](C[6a]C[6a]H)2(P[5]O[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(O[5]C[5])2(S)	C[6a](C[6a]C[6a]H)2(P[5]O[5]2S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,3|O<2>}	P[5](C[6a]C[6a]2)(O[5]C[5])2(S){2|C<3>,6|H<1>}	120.7605	2.329	2	120.7605	5.422	2	120.7605	5.422	2	120.6928	3.535	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:2:2:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:B-4:	C[6a](C[6a]C[6a]H)2(P[5]O[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3)	C[6a](C[6a]C[6a]H)2(P[5]O[5]2B){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|H<1>,2|O<2>}	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3){2|C<3>,2|C<4>,4|H<1>}	121.0860	0.556	2	121.0860	0.309	2	121.0860	0.309	2	121.0860	0.309	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,5]C[5a])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5]C[5,5]C[5a])2(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	120.3020	2.575	2	120.3020	6.632	2	120.3549	8.467	8	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,6|C<3>}	120.1570	2.239	2	120.1570	5.012	2	120.3549	8.467	8	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|H<1>,8|C<3>}	120.2210	2.271	2	120.4802	15.827	4	120.3549	8.467	8	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|H<1>,8|C<3>}	120.7395	6.485	2	120.4802	15.827	4	120.3549	8.467	8	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S){2|C<3>,2|C<4>,2|H<1>}	120.3175	2.630	2	120.2610	2.035	6	120.2610	2.035	6	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5]C[5,5]C)2(C[6a]C[6a]2)(S){2|C<4>,2|H<1>,3|C<3>}	120.2327	1.041	4	120.2610	2.035	6	120.2610	2.035	6	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O){1|N<3>,4|C<3>,5|H<1>}	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	120.1194	5.534	15	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2N)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS){2|C<4>,2|H<1>,6|C<3>}	120.1250	0.453	2	120.1250	0.205	2	120.1250	0.205	2	120.1842	4.346	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:2:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:O-2:	C[6a](C[6a]C[6a]H)2(P[5]N[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn)	C[6a](C[6a]C[6a]H)2(P[5]N[5]2O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)2(OMn){2|C<3>,6|H<1>}	120.2138	2.678	4	120.2138	7.172	4	120.2138	7.172	4	120.1842	4.346	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:S-3:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,6]C[6])2(C[6a]C[6a]2)(SCu2)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<3>,2|H<1>,3|C<3>}	P[5](C[5]C[5,6]C[6])2(C[6a]C[6a]2)(SCu2){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	119.6689	1.164	12	119.6689	1.355	12	119.6689	1.355	12	119.7257	1.191	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2C){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC){2|C<3>,2|C<4>,2|H<1>}	120.0665	0.551	2	120.0665	0.303	2	120.0665	0.303	2	119.7257	1.191	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:4:	C[6,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:C[5]-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(P[5]C[5]3){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H){1|O<2>,1|P<3>,5|H<1>,8|C<3>}	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	118.5372	8.283	11	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){4|H<1>,6|C<3>}	119.7067	2.294	6	119.7067	5.261	6	119.7067	5.261	6	118.5372	8.283	11	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:B-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B){1|B<4>,1|C<3>,2|H<1>,2|N<3>,4|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|N<3>}	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	113.8750	0.594	2	113.8750	0.353	2	113.8750	0.353	2	118.5372	8.283	11	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:3:3:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:P[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2C){2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|P<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)(CC3){2|H<1>,8|C<3>}	119.9775	0.151	2	119.9775	0.023	2	119.9775	0.023	2	118.5372	8.283	11	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(B)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2B){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<1>,1|C<3>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(B){2|C<3>,6|H<1>}	121.9395	3.220	4	121.9395	10.366	4	121.9395	10.366	4	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<3>,6|H<1>}	120.4185	0.663	2	120.4185	0.439	2	120.1052	2.474	6	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(O){2|C<3>,6|H<1>}	120.7000	2.893	2	120.7000	8.372	2	120.1052	2.474	6	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O){1|C<3>,3|H<1>,7|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|P<3>,2|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O){1|P<3>,2|C<3>,5|H<1>}	119.1970	1.003	2	119.1970	1.005	2	120.1052	2.474	6	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(S)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2S){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(S){2|C<3>,6|H<1>}	120.5580	2.303	4	120.5580	5.304	4	119.0075	9.133	6	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S){1|C<3>,1|S<1>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,1|S<1>,2|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S){1|P<4>,2|C<3>,5|H<1>}	115.9065	0.951	2	115.9065	0.905	2	119.0075	9.133	6	120.1521	7.319	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2B){1|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3){2|C<3>,6|H<1>}	120.6488	1.555	8	120.6488	2.419	8	120.6488	2.419	8	120.6488	2.419	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	4:3:3:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:P[5]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)2(P[5]P[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2)(BH3)	C[6a](C[6a]C[6a]H)2(P[5]P[5]2B){1|B<4>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<3>,1|P<4>,2|H<1>}	P[5](P[5]C[6a]P[5]B)(P[5]C[6a]P[5])(C[6a]C[6a]2)(BH3){2|H<1>,8|C<3>}	120.2770	3.364	8	120.2770	11.315	8	120.2770	11.315	8	120.2770	11.315	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	4:4:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(O){2|C<3>,2|C<4>,4|H<1>}	120.1565	3.313	2	120.1565	10.975	2	120.3685	11.472	4	120.3685	11.472	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	4:4:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){2|Br<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5](C[5]C[5]BrH)2(C[6a]C[6a]2)(O){2|C<3>,2|C<4>,2|H<1>}	120.5805	4.823	2	120.5805	23.263	2	120.3685	11.472	4	120.3685	11.472	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:1:	4:4:3:2:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(P[5]C[5]2O){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	P[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,2|H<1>}	119.8050	0.939	2	119.8050	0.882	2	119.8050	0.882	2	119.8050	0.882	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:3:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:N[5]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH)	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(O){1|N<3>,4|C<3>,5|H<1>}	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	123.6700	0.000	1	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a](C[6a]C[6a]2)2(P[5]C[5]2H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a]C[6a]2)2(P[5]C[5]2H){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(H){1|B<4>,3|H<1>,4|C<3>}	119.6945	2.169	2	119.6945	4.703	2	119.6945	4.703	2	120.6700	2.850	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:3:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2)	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2O){1|C<3>,3|H<1>,7|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O){1|P<3>,2|C<3>,5|H<1>}	121.6455	0.203	2	121.6455	0.041	2	121.6455	0.041	2	120.6700	2.850	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a](C[6a]C[6a]2)2(P[5]C[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CC[6a]CH)	C[6a](C[6a]C[6a]2)2(P[5]C[5]2C){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>,5|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(CC[6a]CH){1|B<4>,3|H<1>,4|C<3>}	120.5175	4.123	2	120.5175	17.000	2	120.5175	17.000	2	120.5175	17.000	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|O<1>,2|C<4>,3|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|C<4>,8|C<3>}	120.4060	0.690	2	120.4060	0.476	2	120.4805	0.493	4	120.4805	0.493	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:3:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<4>,3|C<3>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|C<4>,8|C<3>}	120.5550	0.990	2	120.5550	0.980	2	120.4805	0.493	4	120.4805	0.493	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:3:3:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:N[5]-3:N[5]-3:B-4:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B)	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B){1|B<4>,1|C<3>,2|H<1>,2|N<3>,4|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]N[5]2B){1|B<4>,1|C<3>,2|H<1>,2|N<3>,4|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5,6]C)2(BH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	127.7480	0.491	2	127.7480	0.241	2	127.7480	0.241	2	127.7480	0.241	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:3:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2H){1|B<4>,1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H){2|C<4>,4|C<3>}	119.5533	1.353	4	119.5533	1.830	4	119.5533	1.830	4	119.5533	1.830	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:3:2:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:C-2:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2C){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]B)(CC){1|H<1>,2|C<3>,3|C<4>}	119.8920	6.348	2	119.8920	40.302	2	119.8920	40.302	2	119.8920	40.302	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2H){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|H<1>,4|C<4>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	118.1735	2.828	4	118.1735	7.995	4	118.1735	7.995	4	120.7650	20.933	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:4:1:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[5]-4:C[5]-4:S-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S){1|C<3>,1|S<1>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]2S){1|C<3>,1|S<1>,5|C<4>,5|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S){1|P<4>,2|C<3>,5|H<1>}	125.9480	0.296	2	125.9480	0.087	2	125.9480	0.087	2	120.7650	20.933	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2B)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2B){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	120.6475	4.516	2	120.6475	20.397	2	120.6475	20.397	2	120.5325	18.158	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[6a](C[6a]C[6a]C)2(P[5]C[5]2C)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[6a](C[6a]C[6a]C)2(P[5]C[5]2C){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|C<3>,5|C<4>}	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.4175	5.833	2	120.4175	34.023	2	120.4175	34.023	2	120.5325	18.158	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:4:3:	3:3:1:	3:3:3:1:	C[6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(P[5]C[5,5a]2O)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P[5])(C[6a]C[6a,6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(P[5]C[5,5a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<1>,5|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a,6a]C[6a])(O){2|S<2>,3|H<1>,5|C<3>}	120.2920	0.776	2	120.2920	0.603	2	120.2920	0.603	2	118.4030	11.006	3	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:4:3:	3:3:1:	3:3:3:1:	C[6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	118.4030	11.006	3	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:4:3:	3:3:1:	3:3:4:1:	C[6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(P[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O){3|H<1>,6|C<3>}	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:2:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[5]-2:S[5]-2:S-1:	C[6a](P[5]O[5]S[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(O[5]C[5,6])(S[5]C[5,6])(S)	C[6a](P[5]O[5]S[5]S)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<1>,1|S<2>,2|H<1>}	P[5](C[6a]C[6a]2)(O[5]C[5,6])(S[5]C[5,6])(S){2|C<3>,3|C<4>,3|H<1>}	120.0800	1.723	2	120.0800	2.967	2	120.0800	2.967	2	120.2263	1.702	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:2:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[5]-2:N[5]-2:Se-1:	C[6a](P[5]Se[5]N[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(Se[5]P[5])(N[5]C[5])(Se)	C[6a](P[5]Se[5]N[5]Se)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	P[5](C[6a]C[6a]2)(Se[5]P[5])(N[5]C[5])(Se){1|Se<1>,1|N<3>,2|H<1>,3|C<3>}	120.2995	1.351	4	120.2995	1.825	4	120.2995	1.825	4	120.2263	1.702	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:2:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-2:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]As[5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]As[5]C[6a])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|As<2>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(As[5]C[5,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	120.6955	1.083	4	120.6955	1.173	4	120.6955	1.173	4	120.6955	1.173	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:S-1:	C[6a](P[5]C[5]O[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	C[6a](P[5]C[5]O[5]S)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){2|C<4>,2|H<1>,5|C<3>}	120.1268	1.620	4	120.1268	2.623	4	120.1268	2.623	4	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,2|C<3>,2|H<1>}	P[5](C[5]C[5,5]C)(C[6a]C[6a]2)(Se[5]C[5,5])(Se){1|Se<2>,2|H<1>,3|C<3>}	119.8137	0.398	4	119.8137	0.159	4	120.3090	1.462	8	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se){2|H<1>,5|C<3>}	120.8042	1.612	4	120.8042	2.599	4	120.3090	1.462	8	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]N[5]N)(Se[5]P[5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]N[5]N)(Se[5]P[5])(Se){1|Se<1>,2|H<1>,3|C<3>}	120.3847	0.599	4	120.3847	0.359	4	120.3847	0.359	4	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:O-1:	C[6a](P[5]N[5]O[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O)	C[6a](P[5]N[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O){2|C<3>,2|C<4>,4|H<1>}	120.2875	2.447	2	120.2875	5.989	2	120.2875	5.989	2	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[6a]-3:S[5]-2:S-1:	C[6a](P[5]N[5,5a]S[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(S)	C[6a](P[5]N[5,5a]S[5]S)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>}	P[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(S[5]C[5])(S){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	120.8305	0.754	2	120.8305	0.569	2	120.8305	0.569	2	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:S-1:	C[6a](P[5]N[5]O[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	C[6a](P[5]N[5]O[5]S)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|O<2>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){4|C<3>,6|H<1>}	120.7149	1.283	7	120.7149	1.646	7	120.7149	1.646	7	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:S[5]-2:Se-1:	C[6a](P[5]N[5]S[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])(Se)	C[6a](P[5]N[5]S[5]Se)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	P[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])(Se){2|H<1>,4|C<3>}	120.0410	0.669	2	120.0410	0.447	2	120.0410	0.447	2	120.4083	1.349	29	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:B-4:	C[6a](P[5]C[5,6a]O[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(BH3)	C[6a](P[5]C[5,6a]O[5]B)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(BH3){4|C<3>,5|H<1>}	120.3340	0.784	4	120.3340	0.615	4	120.3340	0.615	4	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[6a](P[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC)	C[6a](P[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC){2|C<4>,3|H<1>,4|C<3>}	120.5630	1.788	2	120.5630	3.195	2	120.5630	3.195	2	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){1|C<4>,2|C<3>,3|H<1>}	120.6130	1.704	2	120.5626	1.385	8	120.5626	1.385	8	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){2|H<1>,3|C<3>}	120.5975	2.273	2	120.5626	1.385	8	120.5626	1.385	8	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	120.5330	1.266	2	120.5626	1.385	8	120.5626	1.385	8	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:2:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	C[6a](P[5]N[5]O[5]B)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	120.5070	0.055	2	120.5626	1.385	8	120.5626	1.385	8	120.4974	1.145	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(O){2|Si<4>,2|H<1>,6|C<3>}	120.0515	0.665	2	120.0515	0.443	2	120.0515	0.443	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,5]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,5]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,5]2S)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(S){2|H<1>,4|C<4>,6|C<3>}	120.5890	0.724	2	120.5890	0.524	2	120.5890	0.524	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,5]-3:C[6a]-3:Se-1:	C[6a](P[5]C[5,5]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(Se)	C[6a](P[5]C[5,5]2Se)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])2(C[6a]C[6a]2)(Se){2|H<1>,4|C<4>,6|C<3>}	120.5460	0.788	2	120.5460	0.620	2	120.5460	0.620	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|P<4>,3|H<1>,6|C<3>}	120.0355	3.262	2	120.2450	5.405	6	120.2450	5.405	6	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|Si<4>,3|H<1>,6|C<3>}	120.3498	2.328	4	120.2450	5.405	6	120.2450	5.405	6	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){2|S<2>,4|C<3>,4|H<1>}	120.8500	0.047	2	120.2446	2.913	14	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){1|Ir<6>,2|S<2>,3|H<1>,4|C<3>}	119.6990	2.440	2	120.2446	2.913	14	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){2|O<2>,4|C<3>,4|H<1>}	120.2313	0.964	4	120.2446	2.913	14	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O){2|S<2>,4|C<3>,4|H<1>}	120.2335	2.358	6	120.2446	2.913	14	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]N[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]N[5a])2(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,6|C<3>}	120.4575	1.090	2	120.4575	1.187	2	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)(O){2|H<1>,6|C<3>}	120.2565	0.824	2	120.2565	0.679	2	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,5a]C[5,5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,5a]C[5,5a])2(C[6a]C[6a]2)(O){2|H<1>,4|C<3>,4|S<2>}	120.4135	0.405	4	120.4135	0.164	4	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(O){2|H<1>,2|N<3>,6|C<3>}	120.4520	2.901	2	120.3610	5.416	4	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(O){2|H<1>,2|O<2>,6|C<3>}	120.2700	2.793	2	120.3610	5.416	4	120.3058	2.265	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,5a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,5a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(S){2|H<1>,2|I<1>,2|S<2>,4|C<3>}	120.3765	2.321	2	120.3765	5.389	2	120.1777	4.852	6	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,5a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,5a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(S){2|H<1>,2|O<2>,6|C<3>}	120.0782	2.500	4	120.0782	6.251	4	120.1777	4.852	6	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|S<2>,3|H<1>,6|C<3>}	120.1888	2.254	6	120.1888	5.082	6	120.1888	5.082	6	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,5a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){2|H<1>,2|S<2>,6|C<3>}	120.1470	2.220	2	120.1470	4.930	2	120.2225	3.674	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,5a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,5a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	120.2980	2.464	2	120.2980	6.069	2	120.2225	3.674	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(O){2|N<3>,4|C<3>,4|H<1>}	120.0395	2.611	2	120.0395	6.819	2	120.0395	6.819	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5,5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O){2|C<4>,3|H<1>,6|C<3>}	120.0305	5.058	2	120.0305	25.583	2	120.0305	25.583	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:Se-1:	C[6a](P[5]C[5,6a]C[5,5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se)	C[6a](P[5]C[5,6a]C[5,5]Se)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se){1|C<4>,3|H<1>,6|C<3>}	121.7100	0.652	2	121.7100	0.425	2	121.7100	0.425	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	117.8700	0.000	1	117.8700	0.000	1	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,5,6a]C[6a])2(C[6a]C[6a]2)(O){4|H<1>,6|C<3>}	120.4720	4.008	2	120.4720	16.063	2	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	121.8410	0.000	1	120.7250	7.300	3	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	120.1670	3.568	2	120.7250	7.300	3	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){4|H<1>,6|C<3>}	120.3145	2.156	2	120.4648	2.796	18	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){1|N<2>,4|H<1>,5|C<3>}	120.0710	1.543	2	120.4648	2.796	18	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){2|N<2>,4|C<3>,4|H<1>}	120.5695	3.146	2	120.4648	2.796	18	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){4|H<1>,6|C<3>}	120.5380	1.656	12	120.4648	2.796	18	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	120.6210	2.111	2	120.6210	4.458	2	120.4076	3.582	26	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(S){2|H<1>,2|O<2>,6|C<3>}	119.9625	0.605	10	119.9625	0.365	10	120.0111	0.349	16	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(S){4|H<1>,6|C<3>}	120.0738	0.698	4	120.0738	0.487	4	120.0111	0.349	16	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,7|C<3>}	120.1290	0.646	2	120.1290	0.418	2	120.0111	0.349	16	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:Se-1:	C[6a](P[5]C[5,6a]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(Se)	C[6a](P[5]C[5,6a]2Se)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(Se){4|H<1>,6|C<3>}	120.4075	0.067	2	120.4075	0.005	2	120.4075	0.005	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){1|N<2>,3|H<1>,6|C<3>}	120.4025	2.710	4	120.6027	4.786	6	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	121.0030	1.187	2	120.6027	4.786	6	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	120.2465	1.418	4	120.4153	2.139	22	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){2|H<1>,8|C<3>}	120.2770	1.540	2	120.4153	2.139	22	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	120.6040	1.817	8	120.4153	2.139	22	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){4|H<1>,6|C<3>}	120.3456	1.359	8	120.4153	2.139	22	120.4555	2.556	28	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S){2|H<1>,8|C<3>}	120.2940	0.397	2	120.2940	0.158	2	120.2485	0.208	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(S){1|N<2>,3|H<1>,6|C<3>}	120.2030	0.676	2	120.2030	0.457	2	120.2485	0.208	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){4|C<3>,4|H<1>}	120.0282	1.707	4	120.2145	3.321	14	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){3|H<1>,5|C<3>}	119.8930	3.314	2	120.2145	3.321	14	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){3|H<1>,5|C<3>}	121.2320	4.120	2	120.2145	3.321	14	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){4|C<3>,4|H<1>}	120.1067	0.894	6	120.2145	3.321	14	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)(O){3|H<1>,5|C<3>}	119.8605	2.331	2	119.8605	5.435	2	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]C)(O){1|C<4>,2|H<1>,5|C<3>}	120.3015	1.921	2	120.3015	3.691	2	120.1848	3.091	18	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-1:	C[6a](P[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(O)	C[6a](P[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(O){3|H<1>,5|C<3>}	119.9355	1.398	2	119.9355	1.954	2	120.3755	1.924	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-1:	C[6a](P[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(O)	C[6a](P[5]C[5,6a]N[5]O)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(O){1|O<1>,3|H<1>,4|C<3>}	120.8155	1.744	2	120.8155	3.043	2	120.3755	1.924	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:Se-1:	C[6a](P[5]C[5]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]2)2(Se)	C[6a](P[5]C[5]2Se)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]2)2(Se){2|Fe<10>,2|C<3>,4|C<4>,4|H<1>}	120.8615	1.292	2	120.8615	1.669	2	120.8615	1.669	2	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:O-1:	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	117.4370	0.000	1	117.4370	0.000	1	117.4370	0.000	1	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:Se-1:	C[6a](P[5]N[5]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(Se)	C[6a](P[5]N[5]2Se)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,2|H<1>,2|N<3>}	P[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(Se){2|H<1>,4|C<3>}	120.2380	2.059	2	120.2380	4.240	2	120.2332	3.527	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:N[5]-3:C[6a]-3:Se-1:	C[6a](P[5]N[5]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se)	C[6a](P[5]N[5]2Se)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,2|H<1>,2|N<3>}	P[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)(Se){2|H<1>,6|C<3>}	120.2285	2.518	2	120.2285	6.340	2	120.2332	3.527	4	120.2952	2.623	165	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[6a]-3:P[5]-2:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5])	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<2>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]){5|H<1>,8|C<3>}	120.2775	1.612	32	120.2775	2.599	32	120.2775	2.599	32	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N-2:	C[6a](P[5]C[5,6a]2N)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(NS)	C[6a](P[5]C[5,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(NS){4|H<1>,6|C<3>}	120.0560	0.297	2	120.0560	0.088	2	120.0560	0.088	2	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])2(C[6a]C[6a]2)(SC)	C[6a](P[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])2(C[6a]C[6a]2)(SC){2|H<1>,8|C<3>}	119.8055	2.172	2	119.8055	4.716	2	119.8055	4.716	2	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:Ge[5]-2:	C[6a](P[5]C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Ge[5]Ge[5])	C[6a](P[5]C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)2{1|Ge<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<2>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Ge[5]Ge[5]){5|H<1>,7|C<3>}	120.2392	2.547	4	120.2392	6.489	4	120.2392	6.489	4	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	120.4400	2.522	4	120.4400	6.360	4	120.4400	6.360	4	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:S[5]-2:	C[6a](P[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]P[5])	C[6a](P[5]C[5,6a]C[6a]S[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S[5]P[5]){5|H<1>,8|C<3>}	119.7880	2.428	16	119.7880	5.894	16	119.7880	5.894	16	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:As[5]-2:	C[6a](P[5]As[5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(As[5]C[5])	C[6a](P[5]As[5]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|As<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(As[5]C[5]){1|N<3>,4|C<3>,6|H<1>}	120.1382	1.999	4	120.1382	3.997	4	120.1382	3.997	4	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(N[5]P[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(N[5]P[5]){2|C<4>,4|C<3>,6|H<1>}	120.3119	1.750	8	120.3119	3.064	8	120.2188	4.696	20	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]2)(N[5]P[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]2)(N[5]P[5]){1|Fe<10>,2|C<4>,5|H<1>,6|C<3>}	120.1953	2.715	4	120.1953	7.369	4	120.2188	4.696	20	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]C[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]C[5]){4|H<1>,7|C<3>}	120.0583	3.604	4	120.0583	12.991	4	120.2188	4.696	20	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]P[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]P[5]){1|C<4>,4|H<1>,6|C<3>}	120.2165	1.475	4	120.2165	2.175	4	120.2188	4.696	20	120.1530	3.818	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|B<4>,1|O<1>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O){2|C<4>,2|F<1>,9|C<3>}	122.1795	4.177	2	122.1795	17.446	2	122.1795	17.446	2	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|B<4>,1|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){2|F<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]B[5]C)(C[5]C[5]C){1|H<1>,4|F<1>,6|C<3>}	121.9631	3.070	8	121.9631	9.423	8	121.9631	9.423	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[6a]-3:P[5]-3:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Cr)	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{1|Cr<6>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Cr){5|H<1>,8|C<3>}	120.1261	0.869	8	120.1261	0.756	8	120.1401	1.150	32	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[6a]-3:P[5]-3:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Fe)	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{1|Fe<5>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Fe){5|H<1>,8|C<3>}	120.2165	1.697	8	120.2165	2.881	8	120.1401	1.150	32	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[6a]-3:P[5]-3:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Mo)	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{1|Mo<6>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]Mo){5|H<1>,8|C<3>}	120.0676	0.755	8	120.0676	0.570	8	120.1401	1.150	32	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[6a]-3:P[5]-3:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]W)	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{1|P<4>,1|W<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)2(P[5]P[5]W){5|H<1>,8|C<3>}	120.1501	0.935	8	120.1501	0.875	8	120.1401	1.150	32	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,5a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2(N[5]B[5]H)	C[6a](P[5]C[5,5a]C[6a]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)2(N[5]B[5]H){2|N<2>,4|H<1>,7|C<3>}	119.9308	1.366	4	119.9308	1.866	4	119.9308	1.866	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|Ge<4>,1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[5,6]Ge[5,5,6]P[6])(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|Ge<2>,1|N<3>,1|P<4>,4|H<1>,7|C<3>}	120.5895	2.988	4	120.5895	8.929	4	120.5895	8.929	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	119.8213	1.432	4	119.8213	2.051	4	119.8213	2.051	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-3:	C[6a](P[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CHH)	C[6a](P[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CHH){4|H<1>,6|C<3>}	120.3655	0.660	2	120.3655	0.435	2	120.3655	0.435	2	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cl<1>,5|H<1>,8|C<3>}	119.6693	2.155	4	119.6685	2.744	11	119.6685	2.744	11	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	119.6681	1.500	7	119.6685	2.744	11	119.6685	2.744	11	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]C[5]P){1|B<4>,1|F<1>,4|H<1>,6|C<3>}	119.8440	1.563	4	119.8440	2.444	4	119.8440	2.444	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){6|C<3>,7|H<1>}	119.5820	1.596	4	119.5820	2.547	4	119.5820	2.547	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[4,5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]Ge[4,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]Ge[4,5]C[6a])(C[6a]C[6a]H)2{1|Ge<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(Ge[4,5]Ge[4,5]C[4])(C[6a]C[6a]2)2{1|C<4>,1|P<2>,5|H<1>,7|C<3>}	120.3273	1.275	8	120.3273	1.625	8	120.3273	1.625	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2{1|Zn<4>,5|H<1>,8|C<3>}	120.0110	0.700	4	120.0110	0.489	4	120.0110	0.489	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5,5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,7|C<3>}	119.7622	1.054	4	119.7622	1.111	4	119.7622	1.111	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Cl)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]P[5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]Cl)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	119.9677	1.169	4	119.9677	1.366	4	119.9677	1.366	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C){1|N<2>,1|O<1>,4|H<1>,7|C<3>}	120.4955	3.285	4	120.4955	10.791	4	120.3891	4.765	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|O<1>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,1|N<2>,4|H<1>,7|C<3>}	120.2827	0.546	4	120.2827	0.298	4	120.3891	4.765	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|Ge<4>,1|Si<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[5]Ge[5,5,6]P)(N[5]Ge[5,5]Si)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	121.2512	5.194	4	121.2512	26.976	4	121.2512	26.976	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C){5|H<1>,6|C<3>}	120.4193	3.524	4	120.3384	7.664	8	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]B)(C[5]P[5]C){5|H<1>,6|C<3>}	120.2575	2.333	4	120.3384	7.664	8	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]C[5]P)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]C)(C[5]C[5]P){1|N<3>,5|C<3>,5|H<1>}	120.4565	2.194	4	120.4565	4.813	4	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|B<4>,4|H<1>,6|C<3>}	120.2970	2.396	4	120.0671	3.799	8	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]H)(C[5]P[5]C){1|B<4>,4|H<1>,6|C<3>}	119.8372	1.728	4	120.0671	3.799	8	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(C[5]B[5]N)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|Si<4>,1|B<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(C[5]B[5]N){1|C<4>,4|H<1>,6|C<3>}	120.2431	2.055	8	120.2431	4.222	8	120.2505	4.620	28	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,1|B<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	117.7945	0.844	2	117.4235	1.108	4	119.5782	5.886	16	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	117.0525	1.436	2	117.4235	1.108	4	119.5782	5.886	16	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]P)(N[5]C[5]C)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]P)(N[5]C[5]C){1|N<2>,4|C<3>,6|H<1>}	120.5015	3.501	4	120.5015	12.259	4	119.5782	5.886	16	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|B<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){1|C<4>,4|H<1>,6|C<3>}	120.2555	2.139	4	120.1940	3.310	8	119.5782	5.886	16	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){1|C<4>,4|H<1>,6|C<3>}	120.1325	1.771	4	120.1940	3.310	8	119.5782	5.886	16	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge[5]-3:C[5]-3:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(C[5]C[5]C){1|C<4>,4|H<1>,5|C<3>}	120.2410	2.034	4	120.2410	4.137	4	120.2410	4.137	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge[5]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl)	C[6a](P[5]C[6a]Ge[5]2)(C[6a]C[6a]H)2{2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|Ge<3>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(Ge[5]N[5]Cl)(Ge[5]P[5]Cl){4|H<1>,7|C<3>}	120.3834	1.827	8	120.3834	3.338	8	120.3834	3.338	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P[5]-3:P[5]-3:	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(P[5]P[5]C)2	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|P<3>}	P[5](C[6a]C[6a]2)2(P[5]P[5]C)2{3|C<4>,4|C<3>,4|H<1>}	120.0823	0.121	4	120.0823	0.015	4	120.0823	0.015	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	C[6a](P[5]C[6a]Ge[5]2)(C[6a]C[6a]H)2{1|Cl<1>,1|Ge<3>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|Ge<3>,2|C<3>,2|H<1>}	P[5](Ge[5]Ge[5]P[5])(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|P<4>,4|H<1>,7|C<3>}	120.6925	1.323	4	120.6925	1.751	4	120.6925	1.751	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]Ge[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2	C[6a](P[5]C[6a]Ge[5]N[5])(C[6a]C[6a]H)2{2|Ge<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	P[5](Ge[5]Ge[5]P[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]2)2{1|Cl<1>,2|P<4>,4|H<1>,8|C<3>}	120.4873	3.568	4	120.4873	12.734	4	120.4873	12.734	4	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Ge<3>,1|Ge<4>,1|Si<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]Ge[5,5]Si)(C[5]Ge[5,5]P)(C[6a]C[6a]2)2{1|N<3>,1|P<4>,4|H<1>,5|C<3>}	121.5065	4.394	8	121.5065	19.304	8	121.5065	19.304	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|C<4>,4|H<1>,7|C<3>}	120.4230	4.544	4	120.4230	20.652	4	120.0337	5.657	20	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Ge<5>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	119.9900	1.669	4	119.9900	2.786	4	120.0337	5.657	20	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){2|Cl<1>,1|C<4>,4|H<1>,7|C<3>}	119.9977	2.016	8	119.9185	3.309	12	120.0337	5.657	20	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[5](N[5]C[6a]Si[5])(C[6a]C[6a]2)2(C[5]C[5]C){3|Cl<1>,4|H<1>,7|C<3>}	119.7600	1.612	4	119.9185	3.309	12	120.0337	5.657	20	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl)	C[6a](P[5]C[6a]Ge[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	P[5](N[5]C[6a]Ge[5])(C[6a]C[6a]2)2(Ge[5]P[5]Cl){1|Cl<1>,4|H<1>,8|C<3>}	120.4100	0.966	8	120.4100	0.933	8	120.4100	0.933	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:P[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](P[5]C[5,6a]C)2(C[6a]C[6a]2)2	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|P<3>}	P[5](P[5]C[5,6a]C)2(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	119.8875	1.313	4	119.8875	1.723	4	119.9061	0.968	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-3:P[5]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)2	C[6a](P[5]C[6a]P[5]2)(C[6a]C[6a]H)2{2|H<1>,2|P<3>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|P<3>}	P[5](P[5]C[6a]P[5])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	119.9248	0.731	4	119.9248	0.534	4	119.9061	0.968	8	120.2512	4.364	219	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](B[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[6a](P[5]C[6a]B[5]C[5])(C[6a]C[6a]H)2{1|B<3>,1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	P[5](B[5]C[6a]B[5])(C[6a]C[6a]2)2(C[5]P[5]HH){4|H<1>,9|C<3>}	120.6408	2.030	15	120.6408	4.121	15	120.6408	4.121	15	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,6a]C[5,5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|S<4>,3|H<1>,6|C<3>}	119.4900	0.055	2	119.4900	0.003	2	119.4900	0.003	2	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH)	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CC[6a]HH){2|S<2>,4|C<3>,4|H<1>}	119.7187	0.903	6	119.7187	0.816	6	119.7704	0.625	14	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(CH3){2|S<2>,4|C<3>,4|H<1>}	120.0210	1.848	2	120.0210	3.416	2	119.7704	0.625	14	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH)	C[6a](P[5]C[5,5a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])2(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,2|S<2>,6|C<3>}	119.7387	0.312	6	119.7387	0.098	6	119.7704	0.625	14	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,5a]C[5,6a]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CH3){1|S<2>,3|H<1>,6|C<3>}	119.8805	0.289	2	119.8805	0.084	2	119.8805	0.084	2	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6]C[5,6]C[6])2(C[6a]C[6a]2)(CH3){2|N<3>,4|C<3>,4|H<1>}	119.2805	0.081	2	119.2805	0.007	2	119.2805	0.007	2	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:B-4:	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3){1|C<4>,3|H<1>,6|C<3>}	120.0752	0.741	8	120.1932	0.792	16	120.1932	0.792	16	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:B-4:	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3){3|H<1>,7|C<3>}	120.3948	1.049	4	120.1932	0.792	16	120.1932	0.792	16	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:B-4:	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3)	C[6a](P[5]C[5,6a]2B)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(BH3){4|H<1>,6|C<3>}	120.2275	1.218	4	120.1932	0.792	16	120.1932	0.792	16	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){4|H<1>,6|C<3>}	119.6213	2.586	4	119.6213	6.687	4	119.6213	6.687	4	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](P[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH){4|H<1>,6|C<3>}	119.6280	2.882	4	119.6280	8.306	4	119.7034	4.179	8	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[6a](P[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](P[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){4|H<1>,6|C<3>}	119.7788	1.195	4	119.7788	1.429	4	119.7034	4.179	8	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:B[5]-4:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH)	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{1|N<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(B[5]N[5]HH){2|C<4>,5|H<1>,6|C<3>}	120.1008	1.028	4	120.1008	1.057	4	120.1008	1.057	4	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN){1|S<2>,4|H<1>,6|C<3>}	117.8850	0.000	1	117.8850	0.000	1	119.6357	2.086	11	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]HH)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|P<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]P[5]HH){5|H<1>,8|C<3>}	119.7744	1.377	8	119.7744	1.896	8	119.6357	2.086	11	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN){1|S<2>,4|H<1>,6|C<3>}	119.9565	2.041	2	119.9565	4.167	2	119.6357	2.086	11	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:B-4:	C[6a](P[5]N[5,5]N[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(BH3)	C[6a](P[5]N[5,5]N[5]B)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|H<1>,2|N<3>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(BH3){2|C<4>,4|C<3>,7|H<1>}	120.4125	0.424	2	120.4125	0.179	2	120.4125	0.179	2	120.0015	2.070	80	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O){4|C<3>,5|H<1>}	120.3377	2.483	4	120.4470	4.131	6	120.4470	4.131	6	120.2576	3.384	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(O){3|H<1>,5|C<3>}	120.6655	1.422	2	120.4470	4.131	6	120.4470	4.131	6	120.2576	3.384	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:S-1:	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(S)	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(S){4|C<3>,5|H<1>}	119.9265	0.216	2	119.9265	0.047	2	120.0682	3.228	6	120.2576	3.384	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:S-1:	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(S)	C[6a](P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)2{1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(S){1|S<1>,3|H<1>,5|C<3>}	120.1390	2.312	4	120.1390	5.345	4	120.0682	3.228	6	120.2576	3.384	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:As[5]-2:	C[6a](P[5]As[5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5])	C[6a](P[5]As[5]C[6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(As[5]P[5]){6|C<3>,6|H<1>}	120.1894	1.222	16	120.1894	1.493	16	120.1894	1.493	16	120.1630	2.186	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){1|C<2>,5|H<1>,6|C<3>}	120.3268	3.072	4	120.3268	9.438	4	120.1580	4.249	8	120.1630	2.186	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5])	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]P[5]){6|C<3>,6|H<1>}	119.9892	0.632	4	119.9892	0.400	4	120.1580	4.249	8	120.1630	2.186	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:P[5]-2:	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]P[5])	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<2>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]P[5]){6|C<3>,6|H<1>}	120.1752	1.494	56	120.1752	2.231	56	120.1752	2.231	56	120.1630	2.186	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:Se[5]-2:	C[6a](P[5]C[6a]Se[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5])	C[6a](P[5]C[6a]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(Se[5]P[5]){6|C<3>,6|H<1>}	119.8970	1.446	4	119.8970	2.092	4	119.8970	2.092	4	120.1630	2.186	84	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]O[5]CH)(C[5]B[5]C){4|F<1>,6|C<3>}	121.8570	1.636	4	121.8570	2.677	4	121.8570	2.677	4	120.3869	3.977	31	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]F)2{1|B<4>,1|H<1>,1|N<2>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N){2|H<1>,4|F<1>,6|C<3>}	121.6145	1.694	4	121.6145	2.868	4	121.6145	2.868	4	120.3869	3.977	31	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:P[5]-3:	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]P[5]C)	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(P[5]P[5]C){6|C<3>,6|H<1>}	119.9765	2.174	15	119.9765	4.725	15	119.9178	3.770	23	120.3869	3.977	31	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:P[5]-3:	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]P[5]HH)(P[5]P[5]C)	C[6a](P[5]C[6a]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]P[5]HH)(P[5]P[5]C){1|C<4>,4|H<1>,6|C<3>}	119.8077	1.542	8	119.8077	2.378	8	119.9178	3.770	23	120.3869	3.977	31	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|B<4>,1|C<4>,1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH){4|F<1>,6|C<3>}	121.6587	3.605	4	121.6587	12.997	4	121.6587	12.997	4	120.6726	5.802	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:B-4:	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(BH3)	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(BH3){4|C<3>,5|H<1>}	120.2970	3.243	2	120.2970	10.516	2	120.2970	10.516	2	120.6726	5.802	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|B<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|B<3>,1|C<4>,4|C<3>,6|H<1>}	120.2735	1.710	8	120.2735	2.924	8	120.2735	2.924	8	120.6726	5.802	14	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]HN)(Se[5]C[5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HN)(Se[5]C[5])(Se){1|C<4>,3|C<3>,4|H<1>}	120.4395	1.141	2	120.4395	1.301	2	120.1917	10.326	6	120.1917	10.326	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]P[5]HH)(Se[5]Se[5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|P<4>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]P[5]HH)(Se[5]Se[5])(Se){1|Se<1>,2|H<1>,3|C<3>}	120.0678	4.088	4	120.0678	16.714	4	120.1917	10.326	6	120.1917	10.326	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5]O)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(O){3|H<1>,5|C<3>}	120.1245	2.415	2	120.1245	5.831	2	120.1245	5.831	2	120.3626	0.973	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	C[6a](P[5]N[5,5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	C[6a](P[5]N[5,5]C[5]Se)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,1|C<4>,4|H<1>,5|C<3>}	120.3277	0.134	4	120.4420	0.165	6	120.4420	0.165	6	120.3626	0.973	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	C[6a](P[5]N[5,5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	C[6a](P[5]N[5,5]C[5]Se)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,5|C<3>,5|H<1>}	120.6705	0.784	2	120.4420	0.165	6	120.4420	0.165	6	120.3626	0.973	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5])(P[5]P[5]Co2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,5]C[6a]P[5])(C[6a]C[6a]H)2{2|Co<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	P[5](C[5,5]C[5,5]C[5])(P[5]P[5]Co2)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	120.4417	1.110	8	120.4417	1.231	8	120.4417	1.231	8	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,5|H<1>}	120.6290	1.621	8	120.6290	2.629	8	120.3859	3.142	20	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{1|N<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]C[6a]N)(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	120.5632	1.219	4	120.5632	1.486	4	120.3859	3.142	20	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]Cl2)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	120.1442	2.957	4	120.1442	8.742	4	120.3859	3.142	20	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]B[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(B[5]N[5]BrH)(C[6a]C[6a]2)2{2|C<4>,5|H<1>,6|C<3>}	119.9638	1.739	4	119.9638	3.026	4	120.3859	3.142	20	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ga[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ga<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	120.0217	2.588	4	120.0217	6.700	4	119.8808	2.913	12	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ga[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)2{2|Cl<1>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ga<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	119.8104	1.300	8	119.8104	1.689	8	119.8808	2.913	12	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:In[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]C[6a]In[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(In[5]C[5,6a]Cl2)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]C[6a]In[5])(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|In<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(In[5]C[5,6a]Cl2)(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	120.2092	2.907	4	120.2092	8.449	4	120.2092	8.449	4	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6a](P[5]C[5]C[6]N[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]P)	C[6a](P[5]C[5]C[6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]P){2|C<2>,2|C<3>,6|H<1>}	120.2745	0.708	2	120.2745	0.501	2	120.2745	0.501	2	120.2436	2.856	46	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:B-4:	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(BH3)	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,5|C<3>}	120.3375	1.156	4	120.3375	1.336	4	120.3487	4.101	6	120.3487	4.101	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:B-4:	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(BH3)	C[6a](P[5]C[5,6a]C[5]B)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	120.3710	4.062	2	120.3710	16.497	2	120.3487	4.101	6	120.3487	4.101	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:4:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:Cl-1:	C[6a](P[5]C[5]2Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(Cl)	C[6a](P[5]C[5]2Cl)(C[6a]C[6a]H)2{3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)2(Cl){2|C<3>,2|C<4>,2|H<1>}	119.6990	3.929	2	119.6990	15.435	2	119.6990	15.435	2	119.6990	15.435	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	3:6:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:In[4,5]-6:C[6a]-3:C[6a]-3:	C[6a](P[5]C[5,6a]In[4,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2Cl2O)(C[6a]C[6a]2)2	C[6a](P[5]C[5,6a]In[4,5]C[6a])(C[6a]C[6a]H)2{2|Cl<1>,1|O<2>,2|H<1>,2|O<3>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2Cl2O)(C[6a]C[6a]2)2{1|In<6>,5|H<1>,7|C<3>}	120.1985	2.456	4	120.1985	6.033	4	120.1985	6.033	4	120.1985	6.033	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:Se[5]-2:Se-1:	C[6a](P[5]C[5,6]Se[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se)	C[6a](P[5]C[5,6]Se[5]Se)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se){2|C<4>,4|H<1>,5|C<3>}	120.1605	0.733	2	120.1605	0.538	2	120.1605	0.538	2	120.2380	0.348	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:2:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:Se[5]-2:Se-1:	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se)	C[6a](P[5]Se[5]C[5]Se)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se){3|H<1>,5|C<3>}	120.3155	0.695	2	120.3155	0.483	2	120.3155	0.483	2	120.2380	0.348	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:P[5]-3:C[6a]-3:S-1:	C[6a](P[5]C[5,5]P[5]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]S[5])(C[6a]C[6a]2)(S)	C[6a](P[5]C[5,5]P[5]S)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<1>,2|H<1>}	P[5](C[5,5]C[5,5]C[5]H)(P[5]C[6a]S[5])(C[6a]C[6a]2)(S){5|H<1>,6|C<3>}	120.3095	3.364	2	120.3095	11.315	2	120.3095	11.315	2	120.6914	10.215	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|C<4>,6|H<1>,7|C<3>}	120.8205	6.353	2	120.8033	18.204	4	120.8033	18.204	4	120.6914	10.215	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:O-1:	C[6a](P[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](P[5]C[5,6a]C[5,6]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|C<4>,6|H<1>,7|C<3>}	120.7860	3.775	2	120.8033	18.204	4	120.8033	18.204	4	120.6914	10.215	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:O-1:	C[6a](P[5]C[5,6]N[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O)	C[6a](P[5]C[5,6]N[5]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(O){5|C<3>,5|H<1>}	120.8495	2.278	2	120.8495	5.187	2	120.8495	5.187	2	120.6914	10.215	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|B<4>,1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C){4|F<1>,8|C<3>}	121.7620	2.291	4	121.7620	5.248	4	121.7620	5.248	4	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,8|C<3>}	120.2837	3.549	4	120.2837	12.598	4	120.1470	6.697	8	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C){2|C<4>,4|H<1>,6|C<3>}	120.0102	1.726	4	120.0102	2.978	4	120.1470	6.697	8	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|Si<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){2|C<4>,4|H<1>,5|C<3>}	120.4670	1.963	8	120.4428	4.916	12	120.3875	4.159	32	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|Si<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Br){4|H<1>,7|C<3>}	120.3942	3.005	4	120.4428	4.916	12	120.3875	4.159	32	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){2|C<4>,4|H<1>,5|C<3>}	120.5200	1.487	8	120.3543	3.936	20	120.3875	4.159	32	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:Ge[5]-3:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	P[5](C[5]Si[5]HH)(C[6a]C[6a]2)2(Ge[5]N[5]Cl){4|H<1>,7|C<3>}	120.2439	2.315	12	120.3543	3.936	20	120.3875	4.159	32	120.4687	4.634	44	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F)	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]F)2{1|B<4>,1|C<4>,1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]F)(F){2|C<3>,2|C<4>,2|F<1>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH){4|F<1>,8|C<3>}	121.9077	3.720	4	121.9077	13.842	4	121.9077	13.842	4	120.8709	4.586	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]B[3,5]C[5,5]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](P[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	P[5](C[5,5]B[3,5]C[5,5]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<4>,1|O<3>,2|C<4>,5|C<3>,6|H<1>}	120.2387	0.682	4	120.2387	0.465	4	120.3525	0.353	8	120.8709	4.586	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]B[5]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](P[5]C[5,5]C[6a]C[5])(C[6a]C[6a]H)2{1|B<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	P[5](C[5,5]C[5,5]B[5]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<4>,1|C<4>,1|O<3>,6|C<3>,6|H<1>}	120.4663	0.569	4	120.4663	0.324	4	120.3525	0.353	8	120.8709	4.586	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-1:	C[6a](P[5]C[5,5]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[6a](P[5]C[5,5]C[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	P[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	120.3005	1.941	2	120.3005	3.768	2	120.3005	3.768	2	120.3005	3.768	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	4:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){6|C<3>,6|H<1>}	120.2505	0.383	2	120.2505	0.146	2	120.2505	0.146	2	120.2505	0.146	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	6:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	In[3x4,5,5]-6:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]In[3x4,5,5]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](In[3x4,5,5]O[4,4,5]3P[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](P[5]In[3x4,5,5]C[5,6a]C[6a])(C[6a]C[6a]H)2{1|Cl<1>,1|P<4>,2|H<1>,3|O<3>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,2|H<1>,3|C<3>}	P[5](In[3x4,5,5]O[4,4,5]3P[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{11|C<3>,1|In<6>,5|H<1>}	120.2900	2.039	8	120.2900	4.159	8	120.2900	4.159	8	120.3495	4.980	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	6:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	In[3x4,5]-6:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[5]In[3x4,5]C[5,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](In[3x4,5]O[4,4,5]3Cl2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](P[5]In[3x4,5]C[5,6a]C[6a])(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|O<3>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,2|H<1>,3|C<3>}	P[5](In[3x4,5]O[4,4,5]3Cl2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|In<6>,5|H<1>,8|C<3>}	120.4685	2.920	4	120.4685	8.526	4	120.4685	8.526	4	120.3495	4.980	12	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	6:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-6:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](Ge[5]P[5]F4)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](P[5]C[6a]Ge[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|F<1>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<4>,2|C<3>,2|H<1>}	P[5](Ge[5]P[5]F4)(C[6a]C[6a]2)2(C[5]C[5]HH){6|C<3>,6|H<1>}	120.1214	2.209	8	120.1214	4.879	8	120.1214	4.879	8	120.1214	4.879	8	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	6:3:4:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-4:O-1:	C[6a](P[5]C[5x3,6x5,20x6]C[5]O)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]HH)(O)	C[6a](P[5]C[5x3,6x5,20x6]C[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|O<1>,2|H<1>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,5|B<6>,7|H<1>}	120.3850	6.696	2	120.3850	44.840	2	120.3850	44.840	2	120.3850	44.840	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:1:	6:6:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5x3,6x5,20x6]-6:C[6a]-3:Se-1:	C[6a](P[5]C[5x3,6x5,20x6]2Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2)(Se)	C[6a](P[5]C[5x3,6x5,20x6]2Se)(C[6a]C[6a]H)2{1|C<3>,2|C<6>,2|H<1>,8|B<6>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|C<3>,2|C<6>,2|H<1>}	P[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])2(C[6a]C[6a]2)(Se){10|B<6>,10|H<1>,2|C<3>}	120.1920	7.743	2	120.1920	59.951	2	120.1920	59.951	2	120.1920	59.951	2	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:2:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,5]-3:N[5]-3:C[6a]-3:O-1:	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	123.8080	0.000	1	123.8080	0.000	1	122.4037	34.409	3	122.4037	34.409	3	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:2:	3:3:3:1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,5]-3:N[5]-3:C[6a]-3:O-1:	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC)	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O)	C[6a](P[5]N[5,5]N[5]O)(C[6a]C[6a]O)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	P[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	121.7015	8.115	2	121.7015	65.861	2	122.4037	34.409	3	122.4037	34.409	3	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:2:	3:3:3:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(SH)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(SH){1|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN){1|S<2>,4|H<1>,6|C<3>}	123.1760	0.000	1	123.1760	0.000	1	123.1760	0.000	1	123.1760	0.000	1	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:2:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[6a](P[5]C[5,6a]O[5]C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS)	C[6a](P[5]C[5,6a]O[5]C)(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS){1|H<1>,4|C<3>,4|C<4>}	119.8460	3.112	4	119.8460	9.686	4	119.8460	9.686	4	119.8460	9.686	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](P[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](P[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]C)2{1|B<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]){2|F<1>,4|C<4>,7|C<3>}	119.9605	4.459	4	119.9605	19.887	4	119.9605	19.887	4	120.0743	14.097	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2{1|B<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5]){1|H<1>,4|C<4>,8|C<3>}	120.2266	4.141	8	120.2266	17.147	8	120.2266	17.147	8	120.0743	14.097	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]O[5]O)(O[5]B[5])	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2{1|B<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<4>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]O[5]O)(O[5]B[5]){4|C<4>,6|C<3>}	119.8833	3.234	4	119.8833	10.461	4	119.8833	10.461	4	120.0743	14.097	16	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]P[5])(C[6a]C[6a]H)(BC[6a]2O){1|C<4>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,5|C<4>,7|C<3>}	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	P[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)2(N[5]B[5]O){6|C<4>,7|C<3>}	120.4892	1.433	4	120.4892	2.053	4	120.4892	2.053	4	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[5,6a]C[5]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](P[5]C[5,6a]C[5]C[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,6|C<3>,6|C<4>}	120.2950	2.325	2	120.2950	5.405	2	120.2950	5.405	2	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|B<4>,5|C<4>,7|C<3>}	120.2110	1.554	2	120.2110	2.416	2	120.2110	2.416	2	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)2(N[5]B[5]O){5|C<4>,8|C<3>}	120.4737	2.613	4	120.4737	6.829	4	120.4737	6.829	4	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O){2|C<4>,2|F<1>,9|C<3>}	119.8125	4.170	2	119.8125	17.387	2	119.8125	17.387	2	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,1|B<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	122.7925	0.217	2	123.0877	0.853	4	123.0877	0.853	4	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]Si)(N[5]B[5]O){2|H<1>,3|C<4>,6|C<3>}	123.3830	1.471	2	123.0877	0.853	4	123.0877	0.853	4	120.5219	7.638	19	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5])	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5]){2|H<1>,4|C<4>,6|C<3>}	119.9370	4.716	4	119.9370	22.242	4	119.9370	22.242	4	119.9370	22.242	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	120.2345	3.878	4	120.2716	10.714	8	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	120.3088	3.155	4	120.2716	10.714	8	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]H)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]H){2|H<1>,4|C<4>,6|C<3>}	120.4587	4.083	4	120.4587	16.669	4	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]N)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]N){2|H<1>,4|C<4>,6|C<3>}	119.9862	4.238	4	119.9862	17.963	4	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){1|Si<4>,1|H<1>,4|C<4>,6|C<3>}	120.1440	4.159	4	120.3927	11.156	12	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){1|Si<4>,1|H<1>,4|C<4>,6|C<3>}	120.2930	3.478	4	120.3927	11.156	12	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	120.7413	3.355	4	120.3927	11.156	12	120.3095	11.193	28	120.3095	11.193	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	3:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH)	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]C)2{1|B<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	P[5](C[6a]C[6a]2)2(C[5]C[5]BH)(C[5]C[5]HH){1|H<1>,4|C<3>,5|C<4>}	120.3953	5.152	4	120.3953	26.545	4	120.3953	26.545	4	120.3953	26.545	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:C-2:	C[6a](P[5]C[5,6]C[5]C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC)	C[6a](P[5]C[5,6]C[5]C)(C[6a]C[6a]C)2{1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,3|C<4>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]B)(CC){2|C<3>,3|H<1>,4|C<4>}	120.3150	3.499	2	120.3150	12.241	2	120.3150	12.241	2	119.7695	18.185	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:2:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5])	C[6a](P[5]C[6a]C[5]O[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]){2|H<1>,4|C<4>,8|C<3>}	119.4967	5.092	4	119.4967	25.931	4	119.4967	25.931	4	119.7695	18.185	6	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,5,6]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[5,5,6]C[6a]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,6|C<3>,7|C<4>}	120.2262	2.837	4	120.2262	8.048	4	120.2262	8.048	4	120.2620	7.851	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[5,6]C[6a]N[5])(C[6a]C[6a]C)2{1|B<4>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(N[5]B[5]O){3|H<1>,6|C<3>,6|C<4>}	120.3053	2.909	16	120.3053	8.460	16	120.3053	8.460	16	120.2620	7.851	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	120.0757	3.494	4	120.1935	8.693	8	120.1935	8.693	8	120.2620	7.851	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3)	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[6a](P[5]C[6a]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	120.3113	2.835	4	120.1935	8.693	8	120.1935	8.693	8	120.2620	7.851	28	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3)	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]C)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,4|C<4>}	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	119.8208	1.631	6	119.8208	2.661	6	120.0521	9.578	10	120.0521	9.578	10	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:3:4:4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-4:C[6a]-3:C[5]-4:C-4:	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	C[6a](P[5]B[5]C[5]C)(C[6a]C[6a]C)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,4|C<4>}	P[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	120.3990	4.902	4	120.3990	24.033	4	120.0521	9.578	10	120.0521	9.578	10	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	0:SP2_SP2_SP3	C[6a]	C[6a]	P[5]	4:3:3:	3:3:4:	4:4:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH)	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2	C[6a](P[5]C[6a]C[5]2)(C[6a]C[6a]C)2{1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(CCCH){2|C<3>,4|C<4>}	P[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(C[6a]C[6a]2)2{1|H<1>,5|C<3>,5|C<4>}	119.9843	4.901	4	119.9843	24.018	4	119.9843	24.018	4	119.9843	24.018	4	120.2651	4.683	1161	120.2774	4.717	1235
643	643	955	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[5,6,6]	4:3:3:	3:3:4:	6:3:3:3:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3,5,6,6]-6:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	P[5,6,6](Nb[3,5,6,6]C[3,5]N[3]N[6]2C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	P[5,6,6](Nb[3,5,6,6]C[3,5]N[3]N[6]2C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2{2|C<4>,4|H<1>,9|C<3>}	116.8810	1.817	2	116.8810	3.302	2	116.8810	3.302	2	116.8810	3.302	2	118.1038	3.285	4	117.4814	2.303	7
643	643	955	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[5,6,6]	4:3:3:	3:3:4:	8:3:3:3:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3x3,5,6,6]-8:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	P[5,6,6](Nb[3x3,5,6,6]C[3,5]S[3,3]N[3]N[6]2O[3]2)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<5>,2|O<2>,3|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<8>,2|H<1>,4|C<3>}	P[5,6,6](Nb[3x3,5,6,6]C[3,5]S[3,3]N[3]N[6]2O[3]2)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2{1|O<1>,3|C<4>,4|H<1>,9|C<3>}	119.3265	0.756	2	119.3265	0.571	2	119.3265	0.571	2	119.3265	0.571	2	118.1038	3.285	4	117.4814	2.303	7
643	643	955	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[5,6]	4:3:3:	3:3:3:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O)	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O){4|H<1>,5|C<3>}	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	116.6517	0.176	3	116.6517	0.176	3	117.4814	2.303	7
643	643	955	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[5,6]	4:3:3:	3:3:3:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:S-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S)	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,3|C<3>,3|H<1>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(S){4|H<1>,5|C<3>}	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	116.6517	0.176	3	116.6517	0.176	3	117.4814	2.303	7
643	643	955	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	P[5,6]	4:3:3:	3:3:3:	3:3:3:1:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:Se-1:	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se)	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<1>,3|C<3>,3|H<1>}	P[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(Se){4|H<1>,5|C<3>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.6517	0.176	3	116.6517	0.176	3	117.4814	2.303	7
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	N	3:3:3:	3:4:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	121.2125	1.857	4	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	N	3:3:3:	3:4:3:	3:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	N(C[6a]C[6,6,6a]2)(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]2)(CH3)(H)	121.5905	2.225	2	121.5905	4.952	2	121.5905	4.952	2	121.3900	2.597	3	121.2125	1.857	4	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6,6a]	N	3:3:3:	3:4:3:	3:4:1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	121.3900	2.597	3	121.2125	1.857	4	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	122.1330	0.000	1	122.5863	0.241	3	122.5863	0.241	3	122.5863	0.241	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	123.1080	0.000	1	122.5863	0.241	3	122.5863	0.241	3	122.5863	0.241	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	N(C[6a]C[6,6a]N[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]N[6a])(H)2	122.5180	0.000	1	122.5863	0.241	3	122.5863	0.241	3	122.5863	0.241	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	N(C[6a]C[6,6a]N[6a])(CCHH)(H)	124.3670	0.000	1	124.3670	0.000	1	124.3670	0.000	1	124.3670	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	121.3100	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:2:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6])	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.0390	0.000	1	122.0390	0.000	1	121.1478	1.311	6	121.1478	1.311	6	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.1803	1.411	3	121.1803	1.991	3	121.1478	1.311	6	121.1478	1.311	6	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,2|N<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6]){3|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.6535	1.133	2	120.6535	1.285	2	121.1478	1.311	6	121.1478	1.311	6	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	120.2480	0.412	2	120.2480	0.169	2	117.9942	2.608	8	117.9942	2.608	8	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	117.4075	1.479	2	117.4075	2.186	2	117.9942	2.608	8	117.9942	2.608	8	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	116.9167	0.882	3	117.1608	0.757	4	117.9942	2.608	8	117.9942	2.608	8	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	117.8930	0.000	1	117.1608	0.757	4	117.9942	2.608	8	117.9942	2.608	8	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6])	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	118.7530	0.000	1	118.7530	0.000	1	118.7530	0.000	1	118.7530	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	122.4172	0.525	4	122.4172	0.275	4	122.4172	0.275	4	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	123.0740	0.000	1	123.0740	0.000	1	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.6450	0.000	1	122.2160	0.652	2	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	122.7870	0.000	1	122.2160	0.652	2	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	122.8370	0.000	1	122.8370	0.000	1	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	122.7420	0.000	1	123.1008	0.474	6	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	123.5043	0.650	3	123.1008	0.474	6	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	123.1980	0.000	1	123.1008	0.474	6	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	122.1520	0.000	1	123.1008	0.474	6	122.8948	0.471	10	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	121.7903	0.338	3	121.7273	0.297	11	121.7273	0.297	11	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	122.1008	0.156	4	121.7273	0.297	11	121.7273	0.297	11	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	120.9385	0.896	2	121.7273	0.297	11	121.7273	0.297	11	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	121.6745	0.220	2	121.7273	0.297	11	121.7273	0.297	11	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	119.3070	0.000	1	119.3070	0.000	1	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	122.0000	0.000	1	122.0000	0.000	1	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	119.8145	0.064	2	119.8145	0.004	2	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	119.1760	0.000	1	119.1760	0.000	1	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH){1|O<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	122.9405	0.288	2	122.9405	0.083	2	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	121.7380	0.000	1	121.7380	0.000	1	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	123.0135	0.671	2	123.0135	0.450	2	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	120.4900	0.526	2	120.7010	0.272	3	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	121.1230	0.000	1	120.7010	0.272	3	121.2201	2.242	13	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	119.9180	0.000	1	119.9180	0.000	1	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.6070	0.000	1	121.4000	0.086	2	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.1930	0.000	1	121.4000	0.086	2	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.2890	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.2770	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	126.4750	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	123.5850	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.7680	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.2313	0.370	3	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.1300	0.000	1	122.4687	3.271	9	122.0780	3.019	12	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.6825	0.115	2	121.5767	0.040	3	121.7527	0.151	4	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.3650	0.000	1	121.5767	0.040	3	121.7527	0.151	4	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.2810	0.000	1	122.2810	0.000	1	121.7527	0.151	4	121.9523	1.627	54	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	119.2700	0.000	1	119.2700	0.000	1	119.6060	0.226	2	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	119.9420	0.000	1	119.9420	0.000	1	119.6060	0.226	2	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	117.2150	0.779	2	117.2150	0.607	2	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	115.1600	0.000	1	116.1085	1.799	2	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	117.0570	0.000	1	116.1085	1.799	2	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	119.0520	0.564	2	119.0520	0.318	2	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	118.1590	0.000	1	118.1590	0.000	1	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	117.7377	0.657	3	117.7377	0.431	3	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(CNN)(H)	119.2370	0.000	1	119.2370	0.000	1	117.7600	1.532	11	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	118.4972	2.864	16	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O){2|H<1>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	121.0880	0.298	3	121.0880	0.089	3	121.1354	0.132	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	121.2065	0.576	2	121.2065	0.332	2	121.1354	0.132	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	120.3392	1.124	6	119.8049	1.134	11	119.8049	1.134	11	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.1638	0.560	5	119.8049	1.134	11	119.8049	1.134	11	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	121.2390	0.000	1	121.2390	0.000	1	121.2025	0.003	2	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CH3)(H)	121.1660	0.000	1	121.1660	0.000	1	121.2025	0.003	2	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.6360	0.000	1	119.6360	0.000	1	119.5402	0.500	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	120.4930	0.000	1	120.4930	0.000	1	119.5402	0.500	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.0360	0.757	2	119.0360	0.572	2	119.5402	0.500	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.5000	0.000	1	119.5000	0.000	1	119.5402	0.500	5	120.1615	1.007	25	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CH3)2	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	122.2568	0.349	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	121.7600	0.236	2	122.0740	0.324	3	122.0740	0.324	3	122.2568	0.349	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	122.7020	0.000	1	122.0740	0.324	3	122.0740	0.324	3	122.2568	0.349	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(NHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(NHH){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6,6a]2)(H)2	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	117.9140	0.000	1	117.9140	0.000	1	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.7720	0.240	3	120.7720	0.058	3	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	118.4580	0.000	1	118.4580	0.000	1	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	119.3490	0.000	1	119.3490	0.000	1	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.3750	0.000	1	120.3750	0.000	1	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	120.8200	0.000	1	120.8200	0.000	1	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	119.8640	0.000	1	119.4730	0.306	2	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	119.0820	0.000	1	119.4730	0.306	2	119.8178	1.155	10	119.7981	1.044	11	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	120.1790	0.000	1	120.1790	0.000	1	117.9263	3.836	3	117.9263	3.836	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	116.6260	0.000	1	116.6260	0.000	1	117.9263	3.836	3	117.9263	3.836	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	116.9740	0.000	1	116.9740	0.000	1	117.9263	3.836	3	117.9263	3.836	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC){1|N<2>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[5,6a]C[6,6a])(CNO)2	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	120.2363	1.774	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	119.0160	0.000	1	119.0160	0.000	1	119.5260	0.520	2	120.2363	1.774	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	120.0360	0.000	1	120.0360	0.000	1	119.5260	0.520	2	120.2363	1.774	3	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	120.9320	2.645	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	122.9770	0.000	1	122.9770	0.000	1	120.7573	3.784	3	120.9320	2.645	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>,3|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|C<4>}	N(C[6a]C[6,6a]C[6a])(O)2	119.6475	0.422	2	119.6475	0.178	2	120.7573	3.784	3	120.9320	2.645	4	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CH3)2	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])2(NHH)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	N(C[6a]C[6,6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(NHH){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	N(C[6a]C[6,6a]2)(H)2	120.3780	0.000	1	120.3780	0.000	1	120.3780	0.000	1	120.9080	0.562	2	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	120.9080	0.562	2	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	120.6995	3.997	2	120.6995	15.978	2	120.6995	15.978	2	120.6995	15.978	2	120.6816	3.610	147	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	120.8330	1.165	2	119.9660	1.012	5	119.9660	1.012	5	119.9660	1.012	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(N[6a]C[6a]){3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	119.3880	0.304	3	119.9660	1.012	5	119.9660	1.012	5	119.9660	1.012	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	119.6130	1.622	2	119.6130	2.631	2	119.8167	1.062	4	119.8167	1.062	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	N(C[6a]C[6a,6a]N[6a])(CH3)(H)	120.0205	0.623	2	120.0205	0.388	2	119.8167	1.062	4	119.8167	1.062	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]N[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a])(NCC){1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)2	124.9130	0.000	1	124.9130	0.000	1	124.9130	0.000	1	124.9130	0.000	1	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	118.2145	0.040	2	118.2145	0.002	2	118.2145	0.002	2	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	120.3050	0.000	1	120.3050	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.7300	0.000	1	121.7770	0.004	2	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH)	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a])(NHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.8240	0.000	1	121.7770	0.004	2	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	119.5350	0.000	1	119.5350	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	120.0840	0.639	2	120.0840	0.409	2	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	122.9280	0.000	1	122.9280	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]N[6a])(H)2	120.7490	0.000	1	120.7490	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.5847	0.529	6	121.5847	0.280	6	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){1|C<2>,1|F<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	123.5440	0.000	1	122.5373	0.764	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|F<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(H)2	122.0340	0.088	2	122.5373	0.764	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	122.2420	0.000	1	121.9837	0.105	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|F<1>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.6210	0.000	1	121.9837	0.105	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(H)2	122.0880	0.000	1	121.9837	0.105	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[6a]N)(C[6a]O[6a]O){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.4330	0.000	1	121.4330	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	121.9970	0.000	1	121.9970	0.000	1	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	123.9560	0.513	3	123.9560	0.263	3	121.8243	1.493	25	121.5569	2.306	27	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	120.0035	0.053	2	120.0035	0.003	2	119.8877	0.042	3	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	119.6560	0.000	1	119.6560	0.000	1	119.8877	0.042	3	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	119.2155	0.613	2	119.2155	0.376	2	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){6|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	117.8810	0.000	1	117.8810	0.000	1	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|P<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.9360	0.000	1	118.9360	0.000	1	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	120.1230	0.000	1	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|I<1>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.8410	0.000	1	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	119.0970	0.000	1	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.9270	0.906	3	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	119.6925	0.743	20	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	120.7090	0.000	1	119.6074	0.615	27	119.5048	0.660	31	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHN){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]N[6a])(NHH)(H)	118.9520	0.221	2	118.9520	0.049	2	118.9520	0.049	2	119.5060	0.599	36	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a,6a]N[6a])(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(COO)2	119.8660	0.233	2	119.8660	0.054	2	119.8660	0.054	2	120.5716	0.617	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	121.0420	0.614	3	121.0420	0.377	3	121.0420	0.377	3	120.5716	0.617	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	120.9070	0.000	1	120.9070	0.000	1	120.5266	2.517	7	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	121.6640	0.000	1	121.6640	0.000	1	120.5266	2.517	7	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(H)	121.5625	0.135	2	121.5625	0.018	2	120.5266	2.517	7	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(CCHH)(H)	121.5190	0.000	1	121.5190	0.000	1	120.5266	2.517	7	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC3)(H)	118.2355	0.129	2	118.2355	0.017	2	120.5266	2.517	7	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[5]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[5]C[5]2Fe)(H)	119.8600	0.028	2	119.8600	0.001	2	119.8600	0.001	2	120.3784	1.974	9	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:4:2:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a])(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:2:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]N){1|O<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	123.9085	0.078	2	123.9085	0.006	2	123.9085	0.006	2	123.9085	0.006	2	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.5840	0.000	1	118.5840	0.000	1	118.5840	0.000	1	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|Cl<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.2760	0.000	1	120.2760	0.000	1	117.7053	5.942	3	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	115.4270	0.000	1	115.4270	0.000	1	117.7053	5.942	3	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	117.4130	0.000	1	117.4130	0.000	1	117.7053	5.942	3	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|Br<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.7710	0.000	1	116.7935	2.091	2	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.8160	0.000	1	116.7935	2.091	2	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.5580	0.000	1	117.5580	0.000	1	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.8630	0.000	1	119.1754	2.268	9	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.8650	0.000	1	119.1754	2.268	9	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.0353	1.769	3	119.1754	2.268	9	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.2350	0.000	1	119.1754	2.268	9	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.5033	1.748	3	119.1754	2.268	9	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.4287	0.257	3	119.4287	0.066	3	118.8007	2.316	15	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(O[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO){1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(O)2	116.4330	0.000	1	116.4330	0.000	1	119.2955	16.388	2	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(O[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	122.1580	0.000	1	122.1580	0.000	1	119.2955	16.388	2	118.6810	3.226	21	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	116.1926	0.733	7	116.1926	0.537	7	116.1926	0.537	7	116.1926	0.537	7	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	115.2765	1.712	2	115.2765	2.931	2	115.2765	2.931	2	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.7880	0.000	1	117.7880	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	115.2180	0.000	1	115.2180	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	115.5415	0.852	2	115.5415	0.726	2	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	115.8645	0.016	2	115.8645	0.000	2	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	114.5110	0.000	1	114.5110	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.2920	0.000	1	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.5255	0.740	2	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.7905	0.107	2	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.6270	0.000	1	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.1515	0.146	2	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.9865	0.804	2	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.2291	0.822	63	115.1817	0.622	73	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	114.9213	0.582	3	115.1857	0.506	4	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	115.9790	0.000	1	115.1857	0.506	4	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	115.4260	0.000	1	115.4260	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	115.2677	0.454	10	115.2677	0.207	10	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	114.9785	0.585	13	114.9785	0.343	13	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	114.3130	0.467	3	114.3130	0.218	3	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	114.3070	0.000	1	114.3070	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	115.7430	0.000	1	115.7576	0.099	10	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	115.7592	0.334	9	115.7576	0.099	10	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	115.4226	0.601	5	115.4226	0.361	5	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	115.8190	0.000	1	115.8190	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.1615	0.506	2	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.7036	0.623	5	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.6718	0.421	5	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.4958	0.978	4	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.0930	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|F<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.0700	1.089	2	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.1010	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.6150	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.3850	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.2906	0.284	5	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.0180	0.501	2	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.6440	0.156	2	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.7777	0.547	4	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	115.0440	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.8326	0.770	27	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.9920	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	114.6180	0.000	1	115.0391	0.628	65	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	118.2970	0.000	1	118.2970	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	115.1600	0.523	8	115.1600	0.273	8	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	113.7920	0.126	2	113.7920	0.016	2	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	116.3860	0.000	1	116.3860	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.4650	0.000	1	116.4650	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.5530	0.000	1	119.5530	0.000	1	115.2030	0.733	207	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[4a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	116.0805	0.633	2	116.0805	0.401	2	116.0805	0.401	2	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])2(H)	115.1403	0.336	3	115.1403	0.113	3	115.8268	1.303	8	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.2460	0.000	1	117.4205	1.363	2	115.8268	1.303	8	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	116.5950	0.000	1	117.4205	1.363	2	115.8268	1.303	8	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])2(H)	115.8430	0.000	1	115.4507	0.307	3	115.8268	1.303	8	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])2(H)	115.2545	0.619	2	115.4507	0.307	3	115.8268	1.303	8	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	115.2467	0.788	221	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	118.6078	0.835	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	118.3000	0.000	1	118.3000	0.000	1	118.6030	1.113	4	118.6078	0.835	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.0825	1.535	2	119.0825	2.357	2	118.6030	1.113	4	118.6078	0.835	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	117.9470	0.000	1	117.9470	0.000	1	118.6030	1.113	4	118.6078	0.835	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	120.0135	2.931	2	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	120.0135	2.931	2	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	117.9515	0.105	4	117.9515	0.011	4	117.6873	0.485	6	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	116.2780	0.000	1	116.2780	0.000	1	117.6873	0.485	6	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	118.0400	0.000	1	118.0400	0.000	1	117.6873	0.485	6	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	115.1930	0.000	1	115.1930	0.000	1	115.1930	0.000	1	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:P-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	115.8520	0.000	1	115.8520	0.000	1	116.1225	0.146	2	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:P-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	116.3930	0.000	1	116.3930	0.000	1	116.1225	0.146	2	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	120.3400	0.228	2	120.3400	0.052	2	116.6322	8.409	8	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	113.8375	0.098	2	113.8375	0.010	2	116.6322	8.409	8	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	116.4470	0.000	1	116.1757	4.950	4	116.6322	8.409	8	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.4125	2.046	2	116.1757	4.950	4	116.6322	8.409	8	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	113.4310	0.000	1	116.1757	4.950	4	116.6322	8.409	8	116.8600	4.364	17	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|Br<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	119.1690	0.000	1	119.1690	0.000	1	119.3355	0.055	2	119.3355	0.055	2	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	119.5020	0.000	1	119.5020	0.000	1	119.3355	0.055	2	119.3355	0.055	2	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(O)2	117.8607	0.572	14	117.8274	0.294	16	117.8274	0.294	16	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]2)(O)2	117.5940	0.216	2	117.8274	0.294	16	117.8274	0.294	16	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.0265	0.349	2	120.0265	0.122	2	120.0265	0.122	2	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|S<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	122.3770	0.000	1	122.3770	0.000	1	122.2093	0.047	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|S<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	122.2850	0.000	1	122.1255	0.051	2	122.2093	0.047	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|S<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.9660	0.000	1	122.1255	0.051	2	122.2093	0.047	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.7410	0.000	1	119.7410	0.000	1	120.9403	1.389	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.5400	0.788	2	121.5400	0.620	2	120.9403	1.389	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.5803	3.806	3	117.5803	14.487	3	117.5803	14.487	3	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	123.6220	0.000	1	123.6220	0.000	1	123.6220	0.000	1	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,2|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.5910	0.000	1	121.5910	0.000	1	121.7013	0.536	4	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.9150	0.000	1	121.9150	0.000	1	121.7013	0.536	4	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.7710	0.000	1	120.7710	0.000	1	121.7013	0.536	4	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N){1|O<2>,2|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	122.5280	0.000	1	122.5280	0.000	1	121.7013	0.536	4	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	117.9950	0.000	1	117.9950	0.000	1	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.5180	0.238	3	119.5180	0.057	3	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(C[6a]O[6a]O){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.8175	0.032	2	120.8175	0.001	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.5590	0.000	1	119.0260	0.568	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.4930	0.000	1	119.0260	0.568	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.4020	0.000	1	121.4020	0.000	1	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.0920	0.516	2	121.0920	0.266	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.9617	0.366	8	122.9617	0.134	8	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.8240	0.000	1	119.7291	4.067	10	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4355	0.559	2	119.7291	4.067	10	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.6790	0.980	3	119.7291	4.067	10	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	114.3500	0.000	1	119.7291	4.067	10	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.7363	0.517	3	119.7291	4.067	10	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.5870	0.000	1	121.5870	0.000	1	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	123.4540	0.000	1	122.8500	0.730	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.2460	0.000	1	122.8500	0.730	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.3210	0.000	1	120.3935	0.011	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4660	0.000	1	120.3935	0.011	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.3260	0.219	2	120.3260	0.048	2	120.8204	3.359	36	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.5660	0.000	1	121.5660	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.6980	0.000	1	121.6980	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.8620	0.974	2	121.8620	0.949	2	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.1730	0.000	1	119.1730	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.9920	0.000	1	115.9920	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.2815	0.049	2	117.2815	0.002	2	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.6790	0.000	1	117.6790	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	116.6600	0.151	2	116.6600	0.023	2	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.9180	0.000	1	121.9180	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.1660	0.000	1	121.1660	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|I<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.0600	0.426	2	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.3430	1.019	4	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.5200	0.000	1	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.7047	0.750	6	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.4810	0.000	1	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.6760	0.390	2	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.5790	0.000	1	121.2736	0.742	17	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	122.4450	0.000	1	122.4450	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.1270	0.000	1	121.0327	0.284	6	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	121.0138	0.593	5	121.0327	0.284	6	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.4800	0.000	1	120.4800	0.000	1	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.7170	0.000	1	118.5310	0.076	3	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.4380	0.317	2	118.5310	0.076	3	120.4187	3.261	41	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|F<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(O)2	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	120.2527	4.180	110	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	117.7600	0.400	2	117.7600	0.160	2	119.0362	1.164	12	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	117.6670	0.023	2	117.6670	0.001	2	119.0362	1.164	12	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	120.4530	0.000	1	119.6975	0.306	8	119.0362	1.164	12	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	119.6915	0.070	2	119.6975	0.306	8	119.0362	1.164	12	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	119.5488	0.603	5	119.6975	0.306	8	119.0362	1.164	12	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	117.4150	0.000	1	117.4150	0.000	1	117.4150	0.000	1	118.9084	1.172	14	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(COO)(H)	119.2000	0.395	2	119.2158	0.599	22	119.2158	0.599	22	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]2)(COO)(H)	119.1899	0.811	18	119.2158	0.599	22	119.2158	0.599	22	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]2)(COO)(H)	119.4650	1.047	2	119.2158	0.599	22	119.2158	0.599	22	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	119.6135	0.385	4	119.5772	0.160	6	119.7786	0.277	8	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	119.5045	0.581	2	119.5772	0.160	6	119.7786	0.277	8	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	120.3830	0.409	2	120.3830	0.167	2	119.7786	0.277	8	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	117.8720	0.000	1	117.8720	0.000	1	117.8720	0.000	1	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	119.0867	0.669	18	119.0867	0.448	18	118.9420	0.503	22	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.2905	0.541	4	118.2905	0.293	4	118.9420	0.503	22	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.3535	5.298	4	123.3535	28.069	4	122.7190	23.065	5	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.1810	0.000	1	120.1810	0.000	1	122.7190	23.065	5	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(COO)(H)	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	118.0500	0.714	2	118.0500	0.510	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,7|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	120.1780	0.000	1	120.1780	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.1900	0.000	1	119.1900	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	117.7790	0.526	2	117.7790	0.277	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	118.7890	0.000	1	118.7890	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|H<1>,6|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	120.4910	0.000	1	120.4910	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.8815	1.161	4	120.8815	1.349	4	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	118.5780	0.000	1	118.5780	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.7840	0.363	2	119.7840	0.132	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.7590	0.000	1	120.7503	0.853	3	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.5460	0.000	1	120.7503	0.853	3	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.9460	0.000	1	120.7503	0.853	3	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.2100	0.000	1	119.2100	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	117.8780	1.113	2	117.8780	1.239	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	117.0370	1.031	2	117.0370	1.063	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	117.6150	0.000	1	117.6150	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	118.3365	0.749	4	118.4800	0.524	5	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	119.0540	0.000	1	118.4800	0.524	5	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	118.6990	0.000	1	118.6990	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	118.5740	0.000	1	118.5740	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	115.3360	0.000	1	115.3360	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	117.0965	0.037	2	117.0965	0.001	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	117.9310	2.045	3	116.9860	4.614	5	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	116.8710	0.000	1	116.9860	4.614	5	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	114.2660	0.000	1	116.9860	4.614	5	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	117.8390	0.000	1	117.8390	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.2840	0.000	1	118.0727	1.091	7	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.9600	0.000	1	118.0727	1.091	7	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.9270	0.000	1	118.0727	1.091	7	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.0155	0.323	2	118.0727	1.091	7	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.6535	2.259	2	118.0727	1.091	7	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	118.1380	0.000	1	118.1380	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	117.9330	0.000	1	118.1386	1.311	36	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	117.6097	1.015	11	118.1386	1.311	36	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	118.3895	1.160	24	118.1386	1.311	36	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	118.0197	1.482	18	118.0197	2.197	18	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(COO)(H)	118.6043	0.537	3	118.6043	0.289	3	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.4550	0.000	1	119.9575	0.167	4	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.1250	0.287	3	119.9575	0.167	4	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]S){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.0480	0.000	1	121.0480	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	118.1610	0.000	1	118.1610	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(C[6a]O[6a]O){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.7290	0.000	1	118.7290	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	119.2570	1.277	2	119.2570	1.631	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[6])(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.2720	0.000	1	119.2720	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	118.8000	0.000	1	118.8000	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	118.3320	0.000	1	118.3320	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.0285	0.561	2	121.0285	0.314	2	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.7490	0.000	1	120.7490	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.7510	0.000	1	119.7510	0.000	1	118.4785	2.093	121	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[3]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	123.2240	0.000	1	123.2240	0.000	1	123.2240	0.000	1	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	118.2657	1.155	3	118.2657	1.335	3	118.2657	1.335	3	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	115.9120	0.000	1	115.9120	0.000	1	117.7325	6.628	2	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	119.5530	0.000	1	119.5530	0.000	1	117.7325	6.628	2	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.2910	0.000	1	123.2910	0.000	1	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.1020	0.000	1	119.1020	0.000	1	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.3810	0.000	1	118.3810	0.000	1	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.2589	0.910	7	119.2589	0.827	7	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4880	0.000	1	120.4880	0.000	1	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	119.6400	0.000	1	119.6400	0.000	1	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	117.4600	0.000	1	118.4945	2.140	2	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.5290	0.000	1	118.4945	2.140	2	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.0300	0.000	1	120.3451	1.118	7	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.9280	1.870	2	120.3451	1.118	7	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6325	0.901	4	120.3451	1.118	7	119.7676	1.826	21	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	117.3830	0.000	1	117.3830	0.000	1	117.3043	0.006	3	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	117.2650	0.057	2	117.2650	0.003	2	117.3043	0.006	3	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.1460	0.000	2	120.1460	0.000	2	120.1460	0.000	2	118.8855	2.692	214	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6,6a]N)(C[6a]C[6a]H){1|C<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	119.5392	0.640	6	119.3218	0.405	20	119.2516	0.402	24	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	119.0382	0.948	6	119.3218	0.405	20	119.2516	0.402	24	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	119.4510	0.248	4	119.3218	0.405	20	119.2516	0.402	24	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	119.2920	0.203	4	119.3218	0.405	20	119.2516	0.402	24	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	118.9005	0.565	4	118.9005	0.319	4	119.2516	0.402	24	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2)	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.1285	0.523	2	118.1285	0.273	2	119.4067	1.426	7	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.3110	0.000	1	119.3110	0.000	1	119.4067	1.426	7	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.0697	1.040	4	120.0697	1.082	4	119.4067	1.426	7	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.6440	0.000	1	118.6440	0.000	1	119.6590	2.060	2	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.6740	0.000	1	120.6740	0.000	1	119.6590	2.060	2	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCO)2	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	119.0180	0.000	1	119.0180	0.000	1	118.5407	0.171	3	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN)	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN){1|B<3>,1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	118.3020	0.000	2	118.3020	0.000	2	118.5407	0.171	3	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.0350	0.000	1	119.6577	0.245	4	119.9038	0.821	8	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.5320	0.523	3	119.6577	0.245	4	119.9038	0.821	8	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	119.2230	0.000	1	119.2230	0.000	1	119.9038	0.821	8	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	119.9615	1.378	2	119.9615	1.899	2	119.9038	0.821	8	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.4530	0.000	1	121.4530	0.000	1	119.9038	0.821	8	119.3799	0.741	47	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	119.5850	0.000	1	119.5850	0.000	1	120.3153	2.571	3	119.4938	2.554	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	119.2070	0.000	1	119.2070	0.000	1	120.3153	2.571	3	119.4938	2.554	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	122.1540	0.000	1	122.1540	0.000	1	120.3153	2.571	3	119.4938	2.554	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	118.1890	0.000	1	118.1890	0.000	1	118.2615	0.011	2	119.4938	2.554	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	118.3340	0.000	1	118.3340	0.000	1	118.2615	0.011	2	119.4938	2.554	5	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(CCHH)(H)	121.1955	3.850	2	121.1955	14.824	2	121.1955	14.824	2	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	120.6745	0.306	2	120.6745	0.094	2	120.6745	0.094	2	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	121.3957	0.427	4	121.3957	0.182	4	120.9312	0.303	10	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	120.8400	0.392	3	120.8400	0.154	3	120.9312	0.303	10	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	120.5390	0.205	2	120.5390	0.042	2	120.9312	0.303	10	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	120.1310	0.000	1	120.1310	0.000	1	120.9312	0.303	10	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	119.7002	0.477	4	119.7002	0.228	4	120.4073	2.355	6	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	120.2260	0.000	1	120.2260	0.000	1	120.4073	2.355	6	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	123.4170	0.000	1	123.4170	0.000	1	120.4073	2.355	6	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.8840	0.000	1	117.8840	0.000	1	117.8840	0.000	1	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	124.1210	0.000	1	124.1210	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	119.9030	0.000	1	119.9030	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]O[6a])(C[6a]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	125.6060	0.000	1	125.6060	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	120.7630	0.000	1	120.7630	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	118.5780	0.000	1	118.5780	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	124.5090	0.000	1	124.5090	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	124.5390	0.000	1	124.5390	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	124.9840	0.000	1	124.9840	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	116.2540	0.000	1	116.2540	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	124.4490	0.000	1	124.4490	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	118.9273	0.702	3	118.9273	0.493	3	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	118.4850	0.000	1	118.4850	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	118.4720	0.000	1	118.4720	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	118.6093	0.327	3	118.6093	0.107	3	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	119.9145	0.456	2	119.9145	0.208	2	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	120.0700	0.000	2	120.0700	0.000	2	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	120.5513	0.740	25	120.5513	0.548	25	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	119.4465	0.070	2	119.4465	0.005	2	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	119.3280	0.000	1	119.3280	0.000	1	120.5049	3.572	50	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	121.3515	0.960	2	121.3515	0.921	2	120.1617	4.707	3	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.7820	0.000	1	117.7820	0.000	1	120.1617	4.707	3	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	120.0263	0.511	4	120.0263	0.261	4	120.2918	0.548	5	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	121.3540	0.000	1	121.3540	0.000	1	120.2918	0.548	5	120.5135	2.902	79	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]N)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	119.6975	3.908	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	118.9750	0.000	1	118.9750	0.000	1	118.7157	0.077	3	119.6975	3.908	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	118.4220	0.000	1	118.4220	0.000	1	118.7157	0.077	3	119.6975	3.908	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	118.7500	0.000	1	118.7500	0.000	1	118.7157	0.077	3	119.6975	3.908	4	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(CCHH)2	120.1455	2.315	6	120.1455	5.361	6	120.1455	5.361	6	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.7360	0.000	1	119.4650	10.315	2	119.0066	3.274	7	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.1940	0.000	1	119.4650	10.315	2	119.0066	3.274	7	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.3500	0.000	1	121.3500	0.000	1	119.0066	3.274	7	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.7250	0.000	1	117.7250	0.000	1	119.0066	3.274	7	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.3470	0.484	3	118.3470	0.235	3	119.0066	3.274	7	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B[5])(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.0590	0.000	1	117.0590	0.000	1	118.0520	1.225	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.8870	0.915	2	118.8870	0.837	2	118.0520	1.225	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.3750	0.000	1	117.3750	0.000	1	118.0520	1.225	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NSS)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NSS){2|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.3170	0.000	1	118.3170	0.000	1	118.5107	0.034	3	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.6075	0.108	2	118.6075	0.012	2	118.5107	0.034	3	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	121.6740	0.000	1	121.6740	0.000	1	120.1238	1.226	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.4340	0.543	2	119.4340	0.295	2	120.1238	1.226	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	119.9530	0.000	1	119.9530	0.000	1	120.1238	1.226	4	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|Br<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.2560	0.000	1	123.2560	0.000	1	121.9420	3.453	2	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6280	0.000	1	120.6280	0.000	1	121.9420	3.453	2	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.7608	1.111	5	120.8025	0.513	13	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6210	0.463	4	120.8025	0.513	13	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.8215	0.194	2	120.8025	0.513	13	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.2505	0.028	2	120.8025	0.513	13	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.2630	0.000	1	119.2630	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.8240	0.000	1	117.8240	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	109.3770	0.000	1	109.3770	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	118.9660	0.000	1	118.9660	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|N<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	112.9800	0.000	1	115.4179	6.393	10	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	115.7237	2.695	8	115.4179	6.393	10	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	115.4090	0.000	1	115.4179	6.393	10	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	117.8970	0.000	1	117.8970	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.7450	0.451	24	117.7743	0.306	26	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.1260	1.645	2	117.7743	0.306	26	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	118.6750	0.000	1	118.6750	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	121.2840	0.000	1	121.2840	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.1270	1.412	5	119.1449	1.651	29	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.2767	0.883	3	119.1449	1.651	29	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.0900	0.204	5	119.1449	1.651	29	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.8038	0.360	5	119.1449	1.651	29	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.3880	0.743	11	119.1449	1.651	29	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	116.6323	0.282	3	116.6323	0.079	3	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.4460	0.000	1	118.4460	0.000	1	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.3343	1.108	3	122.3343	1.229	3	118.4845	5.022	92	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[3x6]-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	119.8875	0.339	2	119.8875	0.115	2	119.8875	0.115	2	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NPP)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NPP){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)2	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	118.7057	4.607	125	118.4358	6.167	966	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:1:	3:2:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(NC)(H)	121.5493	1.200	7	121.5493	1.441	7	121.5493	1.441	7	121.5493	1.441	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.8196	0.461	5	115.8196	0.213	5	115.8196	0.213	5	115.8196	0.213	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|C<3>,1|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(CNO){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.4330	0.000	1	121.4330	0.000	1	121.2695	0.053	2	121.2695	0.053	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(NHH){1|N<2>,1|N<3>}	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	121.1060	0.000	1	121.1060	0.000	1	121.2695	0.053	2	121.2695	0.053	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3875	1.005	2	119.3875	1.010	2	119.3875	1.010	2	117.9530	5.935	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	N(C[6a]C[6a]N[6a])(NC[6a]H)(H)	118.5880	0.000	1	118.5880	0.000	1	116.5185	8.566	2	117.9530	5.935	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	2:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NHN){2|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	114.4490	0.000	1	114.4490	0.000	1	116.5185	8.566	2	117.9530	5.935	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Cl-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(Cl)(H)	128.5690	0.000	1	128.5690	0.000	1	128.5690	0.000	1	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5,6a])(C[6a]C[6a]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.5030	0.000	1	121.5030	0.000	1	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.8980	0.000	1	119.8980	0.000	1	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.0640	0.573	6	120.0640	0.328	6	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.2037	0.621	3	119.3441	0.493	11	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0470	0.000	1	119.3441	0.493	11	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.1610	0.402	7	119.3441	0.493	11	119.7142	0.669	19	120.1570	4.555	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.1831	3.077	9	122.1831	9.466	9	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CNN)(H)	117.2870	0.000	1	117.2870	0.000	1	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.6761	0.604	10	122.6761	0.365	10	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	122.3985	0.285	2	122.3985	0.081	2	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	122.8260	0.621	2	123.0487	0.341	3	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	123.4940	0.000	1	123.0487	0.341	3	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	117.1060	0.000	1	117.1060	0.000	1	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	122.5965	0.286	2	122.1395	0.315	4	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	121.6825	0.163	2	122.1395	0.315	4	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CNO)(H)	117.4910	0.000	1	116.8442	0.339	6	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CNO)(H)	116.7148	0.546	5	116.8442	0.339	6	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	122.6985	0.343	2	122.6985	0.118	2	121.3096	7.557	38	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.8530	0.000	1	115.8530	0.000	1	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.7110	0.000	1	116.7110	0.000	1	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.5150	0.000	1	115.6550	0.069	3	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.7250	0.331	2	115.6550	0.069	3	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])2(H)	119.8860	4.612	6	119.8860	21.273	6	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])2(H)	125.8060	0.000	1	125.8060	0.000	1	118.7209	18.665	12	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	117.1810	0.000	1	117.1810	0.000	1	117.1810	0.000	1	120.6195	11.162	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.5770	0.492	2	119.5770	0.242	2	119.5770	0.242	2	119.5770	0.242	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.2855	0.179	2	118.2855	0.032	2	118.2855	0.032	2	118.2855	0.032	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	121.3390	0.000	1	121.3390	0.000	1	120.5823	0.478	3	120.5823	0.478	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:4:4:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	120.2040	0.313	2	120.2040	0.098	2	120.5823	0.478	3	120.5823	0.478	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.9535	0.319	2	119.9535	0.102	2	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NHH){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	119.7040	0.000	1	119.7040	0.000	1	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.2817	1.075	3	121.2817	1.156	3	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(NHH){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.3375	0.749	2	121.3375	0.561	2	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.3450	0.000	1	121.3450	0.000	1	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.9380	0.000	1	119.9380	0.000	1	120.7414	0.876	10	120.7414	0.876	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:3:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.1860	0.000	1	120.1860	0.000	1	119.8730	0.196	2	119.8730	0.196	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:2:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.5600	0.000	1	119.5600	0.000	1	119.8730	0.196	2	119.8730	0.196	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.6185	1.402	2	121.6185	1.966	2	121.6185	1.966	2	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]N){2|C<4>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.1860	0.000	1	119.1860	0.000	1	119.1860	0.000	1	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	119.4850	0.000	1	119.4850	0.000	1	121.1000	5.216	2	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	122.7150	0.000	1	122.7150	0.000	1	121.1000	5.216	2	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(O)2	121.6497	0.227	3	121.6497	0.052	3	121.6497	0.052	3	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	O[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN)	N(C[6a]C[6a]O[6a])(H)2	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CHN){2|C<3>}	N(C[6a]C[6a]O[6a])(H)2	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	121.5641	2.756	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:3:4:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S){5|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CC3)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NCH){1|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(H)	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	122.4144	10.419	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO){4|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	123.4570	0.000	1	123.4570	0.000	1	123.3495	0.023	2	122.4144	10.419	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	123.2420	0.000	1	123.2420	0.000	1	123.3495	0.023	2	122.4144	10.419	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:4:1:	O[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CCO){2|C<3>}	N(C[6a]C[6a]O[6a])(CH3)(H)	124.8560	0.000	1	124.8560	0.000	1	124.8560	0.000	1	122.4144	10.419	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:4:1:	S[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[3]-4:H-1:	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]N)(COO)	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]N)(COO){2|C<3>}	N(C[6a]C[6a]S[6a])(C[3]C[3]2H)(H)	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	122.4144	10.419	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	2:3:3:	3:3:4:	3:4:4:	O[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CH3)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(NCS){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]N)(CH3){2|C<3>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	124.4260	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH)	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[5a,6a])(NHH){2|N<2>,2|N<3>}	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N){1|C<3>,1|H<1>,3|N<2>}	N(C[6a]C[6a]N[6a])(H)2	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.7714	0.434	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	119.8040	0.000	1	119.8040	0.000	1	119.8455	0.003	2	120.7714	0.434	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C[5])(N[6a]C[5a,6a])(NHH){1|N<3>,3|N<2>}	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|C<3>,3|N<2>}	N(C[6a]C[6a]N[6a])(H)2	119.8870	0.000	1	119.8870	0.000	1	119.8455	0.003	2	120.7714	0.434	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(NHH){1|N<3>,3|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.9529	0.549	8	120.9529	0.301	8	120.9821	0.331	10	120.7714	0.434	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0990	0.915	2	121.0990	0.837	2	120.9821	0.331	10	120.7714	0.434	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.4200	0.273	5	123.4200	0.074	5	123.4200	0.074	5	122.5100	0.947	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.5903	0.442	3	122.2115	1.673	4	122.2115	1.673	4	122.5100	0.947	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	124.0750	0.000	1	122.2115	1.673	4	122.2115	1.673	4	122.5100	0.947	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2575	0.039	2	122.0306	0.464	7	122.0306	0.464	7	122.5100	0.947	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.9398	0.812	5	122.0306	0.464	7	122.0306	0.464	7	122.5100	0.947	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	122.7740	0.447	2	122.7740	0.200	2	122.7740	0.200	2	122.7740	0.200	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.1900	0.000	1	124.1900	0.000	1	124.3148	0.392	4	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	125.1100	0.000	1	125.1100	0.000	1	124.3148	0.392	4	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	123.9795	0.549	2	123.9795	0.302	2	124.3148	0.392	4	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.1947	3.074	4	119.1947	9.449	4	120.7893	13.793	9	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	121.3962	4.272	4	122.0650	15.922	5	120.7893	13.793	9	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])2(H)	124.7400	0.000	1	122.0650	15.922	5	120.7893	13.793	9	121.8741	12.161	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	121.7375	0.114	2	121.7375	0.013	2	121.6668	1.654	17	121.6668	1.654	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	121.6574	1.374	15	121.6574	1.889	15	121.6668	1.654	17	121.6668	1.654	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.2180	0.000	1	120.2180	0.000	1	121.6645	4.185	2	122.7468	2.240	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	123.1110	0.000	1	123.1110	0.000	1	121.6645	4.185	2	122.7468	2.240	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.4683	0.659	3	123.4683	0.435	3	123.4683	0.435	3	122.7468	2.240	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){2|N<2>}	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.2765	0.098	2	123.2765	0.010	2	123.2765	0.010	2	122.0770	2.961	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.2010	0.298	2	120.2010	0.089	2	120.2010	0.089	2	122.0770	2.961	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(SC[6]){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	122.0770	2.961	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	116.3000	0.000	1	116.3000	0.000	1	116.3000	0.000	1	117.1550	1.462	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){2|C<3>}	N(C[6a]C[6a]N[6a])2(H)	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	117.1550	1.462	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(COO)2	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	118.9875	0.462	2	118.9875	0.213	2	119.5127	0.934	3	119.2275	0.486	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.5630	0.000	1	120.5630	0.000	1	119.5127	0.934	3	119.2275	0.486	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	118.8565	0.173	2	118.9423	0.037	3	118.9423	0.037	3	119.2275	0.486	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	119.1140	0.000	1	118.9423	0.037	3	118.9423	0.037	3	119.2275	0.486	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	123.6322	3.003	8	123.6322	9.017	8	123.6322	9.017	8	123.6322	9.017	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.1907	0.120	3	122.1907	0.014	3	123.0750	1.317	6	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.9593	0.965	3	123.9593	0.931	3	123.0750	1.317	6	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.7930	0.000	1	120.7930	0.000	1	123.5890	2.574	5	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	124.2880	0.418	4	124.2880	0.175	4	123.5890	2.574	5	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(O)2	123.7260	0.193	3	123.7260	0.037	3	123.2886	0.338	7	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(O)2	122.9605	0.562	4	122.9605	0.316	4	123.2886	0.338	7	123.3008	1.155	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	126.3800	0.000	1	126.3800	0.000	1	126.3640	0.006	3	126.3640	0.006	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	N(C[6a]C[6a]N[6a])(CH3)(NOO)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NCN){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CH3)(NOO)	126.3560	0.110	2	126.3560	0.012	2	126.3640	0.006	3	126.3640	0.006	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6,6a]N[6,6a]C[5,6])(C[6a]N[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	N(C[6a]C[6a]N[6a])(H)2	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.9250	0.000	1	123.1460	0.086	4	123.1460	0.086	4	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.2197	0.310	3	123.1460	0.086	4	123.1460	0.086	4	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2790	0.000	1	122.2990	0.173	8	122.7774	0.330	18	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.1900	0.000	1	122.2990	0.173	8	122.7774	0.330	18	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2448	0.506	5	122.2990	0.173	8	122.7774	0.330	18	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.6990	0.000	1	122.2990	0.173	8	122.7774	0.330	18	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Cl){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.1601	0.351	10	123.1601	0.123	10	122.7774	0.330	18	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(O)2	123.2530	0.000	1	123.2530	0.000	1	123.2530	0.000	1	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	121.3900	0.000	1	121.3900	0.000	1	120.8226	0.456	55	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	121.8030	0.000	1	121.8030	0.000	1	120.8226	0.456	55	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	121.2480	0.000	1	121.2480	0.000	1	120.8226	0.456	55	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	120.5259	0.513	7	120.7847	0.452	52	120.8226	0.456	55	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	120.8250	0.690	45	120.7847	0.452	52	120.8226	0.456	55	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:D-1:D-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(D)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NDD){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(D)2	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.6080	0.000	1	120.6080	0.000	1	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.2470	0.444	2	121.8218	2.916	4	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.8580	0.000	1	121.8218	2.916	4	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.9350	0.000	1	121.8218	2.916	4	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)(H){1|Fe<10>,1|C<2>,1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.7810	0.000	1	121.7810	0.000	1	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	120.9945	0.730	2	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.9820	0.000	2	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.8479	0.378	10	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	120.0640	0.702	3	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0010	0.252	2	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.5850	1.856	3	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0960	0.000	1	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.5305	1.406	10	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	121.9170	0.203	5	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<1>}	N(C[6a]C[6a]N[6a])(H)2	121.2440	0.000	1	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.5584	0.481	5	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.8195	0.054	2	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.7430	0.000	1	121.7614	1.099	47	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.3160	0.000	1	121.3160	0.000	1	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.0350	0.031	2	120.6317	0.237	4	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	N(C[6a]C[6a]N[6a])(H)2	120.2285	0.244	2	120.6317	0.237	4	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	119.8800	0.000	1	121.6510	6.273	2	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.4220	0.000	1	121.6510	6.273	2	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6755	0.668	2	122.6755	0.447	2	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.1150	0.000	1	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.8166	0.734	8	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.8720	0.000	1	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	120.6232	1.074	44	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	120.8335	0.735	32	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.1190	0.315	2	120.8392	1.003	88	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.4650	0.000	1	121.5308	0.472	17	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.7730	0.000	1	121.5308	0.472	17	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.3105	0.496	2	121.5308	0.472	17	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.1520	0.000	1	121.5308	0.472	17	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.4177	0.722	12	121.5308	0.472	17	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.8166	0.741	31	122.8166	0.549	31	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	120.5590	0.000	1	120.5590	0.000	1	121.4709	1.420	199	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(O)2	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	121.4384	1.406	280	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	121.5690	0.000	1	121.5690	0.000	1	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(NC)(H)	122.6480	0.000	1	121.4804	1.408	18	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	121.4118	1.186	17	121.4804	1.408	18	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6])(H)	121.2233	1.822	7	121.2233	3.318	7	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(NC)(H)	122.4615	0.747	2	122.4615	0.559	2	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(NC)(H)	122.2244	0.425	5	122.2244	0.180	5	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHN){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(NC[5])(H)	120.7725	2.227	2	120.7725	4.958	2	121.5534	1.649	35	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(OC)(H)	123.1030	0.000	1	123.1485	0.004	2	123.1485	0.004	2	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(OC)(H)	123.1940	0.000	1	123.1485	0.004	2	123.1485	0.004	2	121.6396	1.691	37	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(Br){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	123.0520	0.000	1	123.0520	0.000	1	123.0520	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CHO)(H)	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3450	0.000	1	119.3450	0.000	1	119.3450	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NHH)(H)	120.6830	0.000	1	120.6830	0.000	1	120.6830	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(F){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	126.1630	0.000	1	126.1630	0.000	1	126.1630	0.000	1	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.1430	0.489	2	124.1430	0.239	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.3675	0.569	2	123.4917	0.208	3	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.7400	0.000	1	123.4917	0.208	3	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	117.1820	0.000	1	117.1820	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	126.2553	0.288	4	126.2553	0.083	4	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	123.9290	0.297	2	123.9290	0.088	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCC)(H)	118.8480	0.000	1	119.3147	0.163	3	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCC)(H)	119.5480	0.000	2	119.3147	0.163	3	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCH)(H)	120.7820	1.185	5	120.7820	1.404	5	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.5825	0.984	2	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.1344	0.392	19	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.7048	2.279	34	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.4960	0.000	1	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.2630	0.425	5	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.2978	0.811	4	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.0603	0.822	36	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.6300	0.000	1	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.6420	0.000	1	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.7978	0.953	9	123.5920	2.295	112	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCS)(H)	125.5805	0.377	2	125.5805	0.142	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	123.8535	0.762	2	123.8535	0.580	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	123.6340	0.679	2	123.6340	0.461	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	122.5540	0.000	1	122.5540	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	123.0665	0.708	2	123.0665	0.501	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	123.8460	0.000	1	123.5378	1.030	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	124.5760	0.000	1	123.5378	1.030	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	124.3990	0.000	1	123.5378	1.030	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	123.2019	1.046	9	123.5378	1.030	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	124.3530	0.000	1	123.5378	1.030	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	119.4010	0.000	1	119.2600	0.040	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	119.1190	0.000	1	119.2600	0.040	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	124.0993	0.746	19	124.0993	0.557	19	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	123.5165	1.794	2	123.5165	3.218	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	117.6497	0.788	7	117.6497	0.621	7	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.9021	0.772	12	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	121.6090	0.188	2	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.7707	1.150	41	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	122.7440	0.000	1	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.5330	0.000	1	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	124.1116	0.640	47	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	124.0180	0.000	1	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.0537	0.692	3	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.5432	0.950	26	123.8020	0.908	134	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)(H)	120.1610	0.000	1	119.3995	0.259	4	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHN)(H)	119.1457	0.038	3	119.3995	0.259	4	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CNN)(H)	117.7850	0.505	2	118.7454	5.675	11	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNN)(H)	118.1082	0.555	8	118.7454	5.675	11	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CNN)(H)	125.7630	0.000	1	118.7454	5.675	11	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	123.0760	0.000	1	119.3783	10.773	18	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	121.4935	4.909	2	119.3783	10.773	18	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	121.9980	5.670	2	119.3783	10.773	18	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	117.9257	2.068	12	119.3783	10.773	18	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNO)(H)	123.6420	0.000	1	119.3783	10.773	18	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	120.2084	3.964	7	119.8106	11.510	35	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	117.3860	0.353	6	119.8106	11.510	35	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	119.3730	0.021	2	119.8106	11.510	35	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CNS)(H)	119.2210	0.000	1	119.8106	11.510	35	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	120.5068	3.728	19	119.8106	11.510	35	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	124.2795	0.524	2	124.2795	0.275	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	123.1250	0.119	2	123.9377	0.353	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	124.1550	0.339	3	123.9377	0.353	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COO)(H)	124.0594	0.587	8	123.9377	0.353	13	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.7825	0.435	2	123.7825	0.189	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.0140	0.000	1	123.0140	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.0980	0.000	1	124.0980	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.2245	0.366	2	123.2245	0.134	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	117.0760	0.000	1	117.0760	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	123.1593	0.509	3	123.1593	0.259	3	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CNO)(H)	122.5930	0.000	1	122.5930	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	125.1700	0.000	1	124.9700	0.080	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(H)	124.7700	0.000	1	124.9700	0.080	2	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	124.7260	0.000	1	124.7260	0.000	1	122.8456	6.017	415	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	119.1760	0.000	1	119.6495	16.260	28	119.6495	16.260	28	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	119.1430	0.000	1	119.6495	16.260	28	119.6495	16.260	28	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	119.6872	4.188	26	119.6495	16.260	28	119.6495	16.260	28	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.3450	0.000	1	116.3450	0.000	1	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.0270	0.345	4	121.4128	6.361	6	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1845	0.426	2	121.4128	6.361	6	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	120.5395	3.300	2	122.9357	11.374	4	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	125.3320	0.512	2	122.9357	11.374	4	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5907	2.500	22	121.0657	7.717	71	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.3640	1.105	2	121.0657	7.717	71	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.8429	2.609	44	121.0657	7.717	71	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.5980	0.263	2	121.0657	7.717	71	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.6610	0.000	1	121.0657	7.717	71	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	125.9900	0.000	1	121.0672	8.930	59	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	120.7468	2.521	30	121.0672	8.930	59	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	121.5543	3.329	24	121.0672	8.930	59	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(H)	119.3165	3.341	4	121.0672	8.930	59	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.4693	0.654	4	119.4693	0.428	4	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3890	0.000	1	119.3890	0.000	1	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.4090	0.093	2	119.8534	6.191	5	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.8163	2.983	3	119.8534	6.191	5	121.0048	8.046	151	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NCH)(H)	121.6837	0.235	3	122.0327	0.524	4	122.6330	0.977	7	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(NCH)(H)	123.0800	0.000	1	122.0327	0.524	4	122.6330	0.977	7	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6]H)(H)	122.8050	0.000	1	122.8050	0.000	1	122.6330	0.977	7	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]2)(H)	124.1580	0.000	1	124.1580	0.000	1	122.6330	0.977	7	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	123.3370	0.000	1	123.3370	0.000	1	122.6330	0.977	7	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	117.4245	0.651	2	117.4245	0.424	2	117.4245	0.424	2	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PCC)(H)	122.5330	0.349	2	122.5330	0.122	2	122.5330	0.122	2	122.2131	7.845	613	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	118.6870	0.000	1	118.6870	0.000	1	118.6870	0.000	1	119.6880	0.782	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	120.1885	0.245	2	120.1885	0.060	2	120.1885	0.060	2	119.6880	0.782	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:As-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(AsCl2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(AsCl2)2	129.1770	0.000	1	129.1770	0.000	1	129.1770	0.000	1	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)2	121.1850	0.000	1	121.1850	0.000	1	120.4125	1.194	2	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)2	119.6400	0.000	1	119.6400	0.000	1	120.4125	1.194	2	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	123.4590	0.100	3	123.1418	0.335	5	123.1418	0.335	5	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	122.6660	0.752	2	123.1418	0.335	5	123.1418	0.335	5	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	121.2195	0.978	2	121.2195	0.956	2	120.5008	1.258	19	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	120.1555	0.005	2	120.1555	0.000	2	120.5008	1.258	19	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	118.8902	0.351	4	119.5962	2.584	5	120.5008	1.258	19	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	122.4200	0.000	1	119.5962	2.584	5	120.5008	1.258	19	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CSS)	120.8784	0.712	10	120.8784	0.508	10	120.5008	1.258	19	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	121.7090	2.881	2	121.7090	8.299	2	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	121.5700	2.488	4	121.5700	6.192	4	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	121.2380	1.389	2	121.4963	2.202	24	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	122.7062	0.741	6	121.4963	2.202	24	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	121.0749	1.510	16	121.4963	2.202	24	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	121.3371	0.779	10	121.3371	0.607	10	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])3	122.0985	1.263	6	122.0985	1.595	6	121.5559	2.074	46	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(PC[6]2)	120.8005	1.054	2	120.8005	1.112	2	120.8005	1.112	2	121.4453	2.896	75	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(Br)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(Br){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	121.7473	0.348	3	121.7473	0.121	3	121.7473	0.121	3	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(Cl)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(Cl){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	122.8723	1.416	4	122.8723	2.005	4	122.8723	2.005	4	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(F)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(F){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	123.6525	0.552	2	123.6525	0.305	2	123.6525	0.305	2	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	120.2760	0.031	2	120.2760	0.001	2	120.2760	0.001	2	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	121.2565	1.351	2	121.2565	1.826	2	121.3230	0.632	4	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	121.3895	0.231	2	121.3895	0.053	2	121.3230	0.632	4	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	121.1370	0.000	1	121.1370	0.000	1	121.2530	0.027	2	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	121.3690	0.000	1	121.3690	0.000	1	121.2530	0.027	2	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	120.8750	0.000	1	120.8750	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.2666	0.577	55	122.2466	0.345	60	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.0220	0.627	3	122.2466	0.345	60	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.0350	1.164	2	122.2466	0.345	60	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CCHH)	121.7720	0.000	1	121.7720	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	122.4525	0.282	2	121.6402	0.928	18	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	121.5387	0.973	16	121.6402	0.928	18	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	121.2722	1.224	135	121.2501	1.519	138	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])2(CH3)	121.9780	0.000	1	121.2501	1.519	138	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	119.3995	0.009	2	121.2501	1.519	138	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.7750	0.000	1	120.7750	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	123.2070	0.000	1	123.2070	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	123.3480	0.000	1	123.3480	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])2(CCHH)	122.5080	0.000	1	122.5080	0.000	1	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	123.4200	0.544	2	123.4200	0.296	2	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	122.4900	0.611	12	122.4900	0.374	12	121.6358	1.337	236	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC[6a]C)(CH3)	122.0058	0.331	4	122.0058	0.110	4	122.0058	0.110	4	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2)(CHHP)	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	121.6332	1.454	259	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(Br){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(H)	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(Br){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	121.1210	0.000	1	121.1210	0.000	1	121.1210	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	119.2840	0.000	1	119.2840	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){4|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	122.0740	0.000	1	122.0740	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.4500	0.000	1	118.4500	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	122.8280	0.000	1	122.8280	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.7073	2.281	3	120.4885	5.910	4	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.8320	0.000	1	120.4885	5.910	4	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.0641	1.513	10	120.0641	2.288	10	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]C[6a]H)(H)	119.5520	0.000	1	119.5520	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	120.4040	0.000	1	120.4040	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	121.8650	1.883	4	121.8650	3.544	4	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.5310	1.342	3	122.2470	2.148	23	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.1980	0.000	1	122.2470	2.148	23	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	123.2553	0.754	10	122.2470	2.148	23	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.4390	0.000	1	122.2470	2.148	23	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	121.6124	1.525	8	122.2470	2.148	23	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	122.7346	0.438	5	121.8666	2.402	7	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HN)(H)	119.6965	0.677	2	121.8666	2.402	7	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HO)(H)	118.9700	0.000	1	118.9700	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(H)	121.1483	2.676	4	121.1483	7.162	4	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	123.2040	0.000	1	121.7285	4.354	2	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	120.2530	0.000	1	121.7285	4.354	2	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	119.8440	0.000	1	120.1693	0.348	3	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	120.3320	0.733	2	120.1693	0.348	3	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHPP)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CHPP)(H)	119.8340	0.000	1	119.8340	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CN[5a]HH)(H)	119.5870	0.000	1	119.5870	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.4650	1.226	2	120.4650	1.503	2	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	123.4580	0.000	1	123.4580	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.8370	0.000	1	122.8370	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(H)	124.0040	0.000	1	124.0040	0.000	1	121.3461	3.287	71	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(O)	118.9470	0.000	1	117.6560	1.457	3	118.0184	0.975	5	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(O)	117.0105	0.644	2	117.6560	1.457	3	118.0184	0.975	5	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(O)	118.5620	0.027	2	118.5620	0.001	2	118.0184	0.975	5	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3]H){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[3]C[3]2H)(H)	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3x6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	119.0220	0.000	1	120.3590	3.575	2	120.6440	2.031	3	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	121.6960	0.000	1	120.3590	3.575	2	120.6440	2.031	3	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	121.2140	0.000	1	121.2140	0.000	1	120.6440	2.031	3	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PCCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PCCO)(H)	118.9255	0.718	2	118.9255	0.515	2	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PCCS)(H)	119.7030	0.000	1	119.4240	0.400	3	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PCCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PCCS)(H)	119.2845	0.827	2	119.4240	0.400	3	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	119.7895	0.161	2	119.7895	0.026	2	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	124.3800	0.000	1	124.3800	0.000	1	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	123.0460	0.796	2	123.0460	0.634	2	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	123.2305	0.790	2	123.2305	0.624	2	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	120.6275	1.811	2	120.6275	3.279	2	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PN3)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PN3)(H)	122.6133	0.700	3	122.6133	0.491	3	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PNNO)(H)	121.2765	2.338	6	121.2765	5.464	6	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PSeCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PSeCC)(H)	118.8570	0.000	1	118.8570	0.000	1	121.1769	4.144	24	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	118.3635	0.326	2	118.3635	0.106	2	118.3635	0.106	2	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.0200	0.000	1	122.0530	8.488	7	122.9758	14.087	8	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.9082	0.533	4	122.0530	8.488	7	122.9758	14.087	8	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	117.8590	0.440	2	122.0530	8.488	7	122.9758	14.087	8	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	129.4350	0.000	1	129.4350	0.000	1	122.9758	14.087	8	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(H)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(CH3)(H)	128.5600	0.000	1	128.5600	0.000	1	128.5600	0.000	1	121.2367	5.025	119	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	121.4590	0.421	2	121.1430	0.388	3	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	120.5110	0.000	1	121.1430	0.388	3	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	121.9930	0.000	1	121.9930	0.000	1	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	122.6665	0.855	2	121.9200	0.864	8	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	120.9370	0.290	3	121.9200	0.864	8	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(CH3)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NC)	122.4053	0.463	3	121.9200	0.864	8	121.7318	0.747	12	121.7318	0.747	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	124.0330	0.000	1	124.0330	0.000	1	122.0990	7.481	2	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	120.1650	0.000	1	120.1650	0.000	1	122.0990	7.481	2	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(CH3)(NHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(NHH)	122.1420	0.146	3	122.1420	0.021	3	122.1420	0.021	3	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(POO)	123.4900	0.000	1	123.4900	0.000	1	123.4900	0.000	1	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:B-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	119.9650	0.802	4	119.9650	0.643	4	119.9650	0.643	4	121.1726	3.024	11	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	120.9710	0.000	1	120.9710	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	122.1635	0.179	2	121.7247	0.594	3	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	120.8470	0.000	1	121.7247	0.594	3	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	121.7165	0.059	2	121.7165	0.003	2	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]HH)2	123.9880	0.000	1	123.9880	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(CH3)	121.1480	0.109	2	121.1480	0.012	2	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	121.1950	0.000	1	121.1950	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	121.4585	0.820	2	121.6626	3.522	5	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CHHP)	121.7987	2.576	3	121.6626	3.522	5	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)2	120.9860	0.000	1	121.5717	0.314	3	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CH3)2	121.6270	0.000	1	121.5717	0.314	3	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	122.1020	0.000	1	121.5717	0.314	3	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(CH3)	120.7930	0.426	2	120.7930	0.181	2	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(CH3)	121.3190	0.665	6	121.3190	0.442	6	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHP)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)2	122.1090	0.000	1	122.1090	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	122.6370	0.000	1	122.4180	0.096	2	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	122.1990	0.000	1	122.4180	0.096	2	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	122.0960	0.318	4	122.0960	0.101	4	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	122.6320	0.000	1	122.6320	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(CH3)2	122.1740	0.000	1	122.1740	0.000	1	121.7063	0.907	35	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	125.0420	0.000	1	125.0420	0.000	1	125.0420	0.000	1	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]C)(C[6a]O[6a]N)(H)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(NCS){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]O[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	121.7916	1.414	39	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:1:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6,6a])(NHH){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.7250	0.000	1	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.1560	0.536	3	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3050	0.035	2	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3340	0.000	1	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3000	0.034	2	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0673	0.437	4	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.7100	0.000	1	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.8440	0.000	1	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.0550	0.000	1	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.5388	0.327	5	121.8242	0.333	21	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.6830	0.000	1	121.4010	1.012	3	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.2840	0.000	1	121.4010	1.012	3	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	122.2360	0.000	1	121.4010	1.012	3	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2600	0.000	1	122.2600	0.000	1	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	120.4643	0.408	6	120.4643	0.167	6	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.2680	0.000	1	122.2680	0.000	1	121.5571	0.621	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NN){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.5190	0.146	3	121.5190	0.021	3	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(NC){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.4910	0.000	1	121.4910	0.000	1	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	119.9120	0.000	1	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3015	0.094	2	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.2000	0.000	1	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.2660	0.252	2	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	120.5697	0.564	17	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	120.8135	0.149	2	120.9024	0.724	25	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.9320	0.000	1	120.9320	0.000	1	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.1580	1.390	2	120.1580	1.933	2	120.9330	0.707	32	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.6365	1.099	8	121.7849	1.040	10	121.7849	1.040	10	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2500	0.000	1	121.7849	1.040	10	121.7849	1.040	10	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|Br<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.5070	0.000	1	121.7849	1.040	10	121.7849	1.040	10	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.3130	0.000	1	120.1660	1.455	2	119.6138	0.997	4	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.0190	0.000	1	120.1660	1.455	2	119.6138	0.997	4	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[5]){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.6650	0.000	1	118.6650	0.000	1	119.6138	0.997	4	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	119.4580	0.000	1	119.4580	0.000	1	119.6138	0.997	4	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(O)2	120.7350	0.000	1	120.1880	0.598	2	120.1880	0.598	2	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(O)2	119.6410	0.000	1	120.1880	0.598	2	120.1880	0.598	2	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(O)2	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	121.1801	0.966	82	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.8000	0.000	1	119.8000	0.000	1	119.9798	0.364	13	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7289	0.563	8	119.7289	0.317	8	119.9798	0.364	13	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.1850	0.000	1	120.5267	0.138	4	119.9798	0.364	13	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.6407	0.359	3	120.5267	0.138	4	119.9798	0.364	13	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.8790	0.000	1	119.8790	0.000	1	117.9237	2.115	7	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1270	2.694	2	118.1270	7.258	2	117.9237	2.115	7	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.3333	0.208	4	117.3333	0.043	4	117.9237	2.115	7	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	119.4315	0.907	2	119.4315	0.823	2	119.0651	5.505	11	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COS)(H)	119.3855	1.044	2	119.3855	1.091	2	119.0651	5.505	11	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	116.3715	0.807	2	116.3715	0.651	2	119.0651	5.505	11	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	116.6610	0.064	2	116.6610	0.004	2	119.0651	5.505	11	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OS){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.0057	0.007	3	122.0057	0.000	3	119.0651	5.505	11	119.1910	3.054	31	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	120.5343	0.652	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.1180	0.000	1	121.1180	0.000	1	120.9950	0.030	2	120.5343	0.652	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	120.8720	0.000	1	120.8720	0.000	1	120.9950	0.030	2	120.5343	0.652	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|S<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	121.8670	0.000	1	121.8670	0.000	1	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.7360	0.218	3	120.5986	0.176	5	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.9100	0.000	1	120.5986	0.176	5	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.8750	0.000	1	120.5986	0.176	5	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|S<2>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	121.2500	0.112	2	121.3005	0.008	4	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	121.3510	0.016	2	121.3005	0.008	4	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	121.9960	0.000	1	121.9960	0.000	1	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	121.3950	0.000	1	121.3950	0.000	1	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CN){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(H)	121.4360	0.000	1	121.4360	0.000	1	121.1453	0.309	13	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	119.2500	0.000	1	119.2500	0.000	1	119.2500	0.000	1	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	122.9600	0.000	1	122.9600	0.000	1	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	118.2185	0.578	2	118.6715	0.696	4	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	119.1245	0.967	2	118.6715	0.696	4	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.8399	0.567	7	119.8399	0.321	7	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.3790	0.120	2	119.7427	0.404	3	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.4700	0.000	1	119.7427	0.404	3	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)(H)	119.3760	0.000	1	119.3760	0.000	1	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(NC)	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NC){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]CH)(H)	126.8760	0.000	1	126.8760	0.000	1	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(NO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(NO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	118.6865	0.073	2	118.6865	0.005	2	119.9673	4.007	19	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.6580	0.345	2	119.9990	0.408	3	119.2650	1.221	5	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.6810	0.000	1	119.9990	0.408	3	119.2650	1.221	5	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	118.1640	0.157	2	118.1640	0.025	2	119.2650	1.221	5	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(OC){1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	117.7880	0.000	1	117.7880	0.000	1	118.8025	2.058	2	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	119.8170	0.000	1	119.8170	0.000	1	118.8025	2.058	2	120.1862	2.682	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CH3)(CCO)	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	123.7344	2.760	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)2	125.4170	0.000	1	124.8403	0.595	3	124.2945	1.589	4	123.7344	2.760	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)2	125.1400	0.000	1	124.8403	0.595	3	124.2945	1.589	4	123.7344	2.760	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)2	123.9640	0.000	1	124.8403	0.595	3	124.2945	1.589	4	123.7344	2.760	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	122.6570	0.000	1	122.6570	0.000	1	124.2945	1.589	4	123.7344	2.760	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:2:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN)	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[5]H){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CN){1|C<3>}	N(C[5]C[5,5]O[5]H)(C[6a]C[6a]N[6a])(H)	121.6645	0.361	2	121.6645	0.131	2	121.6645	0.131	2	121.6645	0.131	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]N[6a])(NHH){1|B<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,2|C<3>,2|F<1>,2|H<1>,2|N<3>}	N(C[6a]C[6a]N[6a])(H)2	121.3750	0.000	1	121.3750	0.000	1	121.3750	0.000	1	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(COO){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3560	0.000	1	122.3560	0.000	1	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.8765	0.356	2	122.4304	0.349	5	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(H)2	122.6030	0.122	2	122.4304	0.349	5	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.1930	0.000	1	122.4304	0.349	5	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(COO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6750	0.000	1	122.6750	0.000	1	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	123.3270	0.000	1	123.3270	0.000	1	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	123.5390	0.000	1	123.5390	0.000	1	122.6721	0.371	9	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(O)2	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2710	0.000	1	122.2710	0.000	1	121.7149	0.705	8	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.4018	0.902	5	121.4018	0.813	5	121.7149	0.705	8	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(C[6a]N[6a]O){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6540	0.000	1	122.6540	0.000	1	121.7149	0.705	8	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.7850	0.000	1	121.7850	0.000	1	121.7149	0.705	8	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	120.4900	0.000	1	120.4900	0.000	1	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	125.4470	0.241	3	125.4963	0.048	4	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	125.6440	0.000	1	125.4963	0.048	4	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.3570	0.000	1	123.3570	0.000	1	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	126.0780	0.000	1	126.0780	0.000	1	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.4375	0.135	2	122.4375	0.018	2	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	125.2730	0.191	2	125.2730	0.036	2	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NSrO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	119.5490	0.000	1	119.5490	0.000	1	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NCC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NCC){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2060	0.541	4	122.2060	0.292	4	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.5550	0.000	1	121.5550	0.000	1	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NOO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	125.2400	0.058	2	125.2400	0.003	2	123.5652	4.075	19	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(O)2	120.0540	0.229	2	120.0540	0.052	2	120.0540	0.052	2	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(O)2	119.9650	0.000	1	119.9650	0.000	1	119.9650	0.000	1	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C)	N(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(H)2	126.7720	0.000	1	126.7720	0.000	1	127.1610	0.303	2	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H)	N(C[6a]C[6a]O[6a])(H)2	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(H)2	127.5500	0.000	1	127.5500	0.000	1	127.1610	0.303	2	122.8014	4.045	44	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a])(NHN){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(NHH)(H)	121.3490	0.133	2	121.3490	0.018	2	121.3490	0.018	2	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCH)(H)	120.7570	0.000	1	120.7570	0.000	1	123.6585	22.385	4	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	127.6780	0.174	2	127.6780	0.030	2	123.6585	22.385	4	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCO)(H)	118.5210	0.000	1	118.5210	0.000	1	123.6585	22.385	4	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.3844	0.919	56	120.3827	0.829	57	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.2870	0.000	1	120.3827	0.829	57	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.0110	0.000	1	118.5490	0.427	2	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.0870	0.000	1	118.5490	0.427	2	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.6520	0.000	1	117.6520	0.000	1	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1860	0.000	1	117.9103	0.699	3	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.7725	1.133	2	117.9103	0.699	3	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)2(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N)2(COO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.2830	0.000	1	122.2830	0.000	1	120.1965	1.304	64	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(C[6a]N[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(CCN)(H)	119.3390	0.513	2	119.3390	0.264	2	119.3390	0.264	2	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.9880	0.000	1	121.9880	0.000	1	122.1825	1.090	17	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.8155	1.138	2	122.5223	0.697	11	122.1825	1.090	17	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.6793	0.747	9	122.5223	0.697	11	122.1825	1.090	17	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.5873	0.188	3	120.5873	0.035	3	122.1825	1.090	17	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)2(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.8035	0.831	2	122.8035	0.690	2	122.1825	1.090	17	120.7381	2.955	89	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)2	120.4185	0.754	2	120.4185	0.569	2	120.6610	1.940	4	120.6610	1.940	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|N<2>}	N(C[6a]C[6a]N[6a])(CCO)2	122.4870	0.000	1	122.4870	0.000	1	120.6610	1.940	4	120.6610	1.940	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<4>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(COO)2	119.3200	0.000	1	119.3200	0.000	1	120.6610	1.940	4	120.6610	1.940	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]N[6a]N){1|N<3>,2|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.7300	0.000	1	123.4677	2.520	4	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	124.0470	1.329	3	123.4677	2.520	4	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	122.4808	0.457	9	122.4808	0.209	9	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.9402	0.552	13	122.9402	0.305	13	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	122.8920	0.000	1	122.8920	0.000	1	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	122.0600	0.000	1	122.0600	0.000	1	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.7080	0.000	1	121.7080	0.000	1	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.6390	0.000	1	122.6390	0.000	1	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.6840	0.750	4	121.6840	0.562	4	122.6604	0.716	34	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	124.2375	0.400	2	124.2375	0.160	2	123.2865	2.961	6	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.3290	0.000	1	121.3290	0.000	1	123.2865	2.961	6	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	123.9670	0.000	1	124.4920	0.551	2	123.2865	2.961	6	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	125.0170	0.000	1	124.4920	0.551	2	123.2865	2.961	6	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(NHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.9310	0.000	1	120.9310	0.000	1	123.2865	2.961	6	122.5147	2.130	43	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.9330	0.000	1	119.9330	0.000	1	119.8254	0.109	7	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(CHO)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	119.6710	0.145	5	119.6710	0.021	5	119.8254	0.109	7	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHO){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.4900	0.000	1	120.4900	0.000	1	119.8254	0.109	7	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[5]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[5]C[5]N[5]H)(H)	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	124.2180	0.000	1	124.2180	0.000	1	123.9851	0.121	9	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CCCH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCCH)(H)	124.4800	0.091	2	124.4800	0.008	2	123.9851	0.121	9	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	123.6513	0.151	3	123.6513	0.023	3	123.9851	0.121	9	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[5a]HH)(H)	123.9950	0.000	1	123.9950	0.000	1	123.9851	0.121	9	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(NOO)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	123.8695	0.112	2	123.8695	0.013	2	123.9851	0.121	9	121.9715	4.449	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(NCC){2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N(C[6a]C[6a]N[6a])(CH3)2	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	123.5350	0.000	1	123.5350	0.000	1	122.9570	1.249	5	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)2	124.2080	0.000	1	124.2080	0.000	1	122.9570	1.249	5	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CCHH)	123.3090	0.000	1	123.3090	0.000	1	122.9570	1.249	5	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)2(CHO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	121.8665	0.771	2	121.8665	0.595	2	122.9570	1.249	5	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(CH3)	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]O[6a]N)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]O[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	126.5470	0.000	1	126.5470	0.000	1	126.5470	0.000	1	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]2)(O[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]O[6a]N)	N(C[6a]C[6a]O[6a])(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]2)(O[6a]C[6a])(NCS){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]O[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]O[6a])(SC[6a]OO)(CH3)	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	123.1543	2.508	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CC[6a]HS){1|C<2>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.5830	0.521	4	122.5830	0.271	4	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.1070	0.000	1	121.1070	0.000	1	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHHN){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.7750	0.000	1	121.7750	0.000	1	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CC[6a]HH){3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.2030	0.000	1	120.2030	0.000	1	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.6908	0.265	4	121.6908	0.070	4	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CN[5]HH){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.4193	0.802	4	122.4193	0.643	4	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.4100	0.000	1	121.3005	0.024	2	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.1910	0.000	1	121.3005	0.024	2	121.9093	0.646	17	121.9093	0.646	17	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHN){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(NC)(H)	119.8395	0.814	2	119.8395	0.662	2	119.8395	0.662	2	119.8395	0.662	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CNS)(H)	120.7415	1.623	2	120.7415	2.634	2	120.7415	2.634	2	119.0279	1.873	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CH3){1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.1270	0.000	1	117.1270	0.000	1	118.3718	1.013	6	119.0279	1.873	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(CHHN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.6208	0.895	5	118.6208	0.801	5	118.3718	1.013	6	119.0279	1.873	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	N(C[6a]C[6a]N[6a])(NHH)(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a,6a])(NHN){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(NHH)(H)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	119.0279	1.873	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	119.0279	1.873	10	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	120.1210	0.000	1	120.1210	0.000	1	120.1210	0.000	1	120.1210	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	124.2610	0.000	1	124.2867	0.018	4	124.5349	0.511	7	124.5349	0.511	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	124.2953	0.162	3	124.2867	0.018	4	124.5349	0.511	7	124.5349	0.511	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	123.5930	0.000	1	123.5930	0.000	1	124.5349	0.511	7	124.5349	0.511	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	125.5640	0.000	1	125.5020	0.008	2	124.5349	0.511	7	124.5349	0.511	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	125.4400	0.000	1	125.5020	0.008	2	124.5349	0.511	7	124.5349	0.511	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	119.8210	0.354	2	119.8210	0.125	2	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.5620	0.000	1	119.5620	0.000	1	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CH3)(H)	120.0250	0.000	1	120.0250	0.000	1	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.5360	0.000	1	119.5360	0.000	1	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N)2(CHHN)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|N<2>}	C[6a](C[6a]N[6a]N)2(CHHN){1|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	126.3975	0.159	2	126.3975	0.025	2	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.5210	0.000	1	120.5210	0.000	1	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	120.4150	0.000	1	120.4150	0.000	1	121.3884	8.196	9	121.3884	8.196	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH)	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(CCHH)(CH3)	119.7090	0.000	1	119.7090	0.000	1	121.5495	2.458	4	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(CHHO){1|C<3>,1|O<2>}	N(C[6a]C[6a]N[6a])(CH3)2	120.9420	0.000	1	120.9420	0.000	1	121.5495	2.458	4	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CHHO){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CH3)2	123.3310	0.000	1	123.3310	0.000	1	121.5495	2.458	4	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(CH3)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(CH3)2	122.2160	0.000	1	122.2160	0.000	1	121.5495	2.458	4	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCS){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(SC[6a]OO)	119.3880	0.000	1	119.3880	0.000	1	119.3880	0.000	1	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	125.5840	0.000	1	125.5840	0.000	1	125.5840	0.000	1	121.8617	5.548	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:2:3:	4:2:3:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5]H)(N[6a]C[6a,6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,5|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	121.5877	0.764	3	121.5877	0.583	3	121.5877	0.583	3	122.2977	7.099	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge[4]-3:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	122.7315	4.000	2	122.7315	16.001	2	122.7315	16.001	2	122.2977	7.099	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	122.9290	4.769	2	122.9290	22.741	2	122.9290	22.741	2	122.2977	7.099	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	120.0180	0.267	2	120.0180	0.071	2	119.4758	0.511	4	119.4758	0.511	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:1:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	118.9335	0.534	2	118.9335	0.285	2	119.4758	0.511	4	119.4758	0.511	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	120.1840	0.230	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	120.1840	0.230	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	115.2580	2.700	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO){2|C<3>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.6295	0.343	2	115.6295	0.118	2	115.6295	0.118	2	115.2580	2.700	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	115.2580	2.700	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	113.2590	0.000	1	113.2590	0.000	1	113.9495	0.954	2	115.2580	2.700	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.6400	0.000	1	114.6400	0.000	1	113.9495	0.954	2	115.2580	2.700	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.0842	0.401	4	116.0842	0.161	4	116.0864	0.121	5	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	116.0950	0.000	1	116.0950	0.000	1	116.0864	0.121	5	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	112.3695	0.145	2	112.3695	0.021	2	111.8865	3.287	8	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	111.2870	0.000	1	111.2870	0.000	1	111.8865	3.287	8	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	110.3895	0.039	2	110.3895	0.002	2	111.8865	3.287	8	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	112.7623	2.773	3	112.7623	7.690	3	111.8865	3.287	8	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){3|C<3>}	N(C[6a]C[6a]2)2(H)	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	S[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH)	C[6a](S[6a]C[6,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH){1|C<3>,1|C<4>}	C[6a](S[6a]C[6,6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6a]C[6a]2)(COO)(H)	124.5727	0.921	8	124.5727	0.849	8	124.5727	0.849	8	117.6458	35.379	23	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PNNO)(H)	117.4820	0.000	1	117.4820	0.000	1	119.1598	5.825	4	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PNNS)(H)	119.7190	2.619	3	119.7190	6.861	3	119.1598	5.825	4	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5820	0.000	1	119.5820	0.000	1	119.5820	0.000	1	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.0050	0.000	1	114.0050	0.000	1	113.8825	0.030	2	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	113.7600	0.000	1	113.7600	0.000	1	113.8825	0.030	2	117.6886	8.392	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNS)	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	115.6690	0.000	1	115.6690	0.000	1	115.6690	0.000	1	115.6690	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	120.1147	2.775	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO){4|C<3>}	C[6a](N[6a]C[5,6a])(C[6a]C[6a]N)(NCH){3|C<3>}	N(C[6a]C[6a]2)(O)2	118.7770	0.000	1	118.7770	0.000	1	120.5072	2.036	6	120.1147	2.775	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.0230	0.000	1	121.0230	0.000	1	120.5072	2.036	6	120.1147	2.775	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.1133	0.598	3	120.1133	0.358	3	120.5072	2.036	6	120.1147	2.775	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.9030	0.000	1	122.9030	0.000	1	120.5072	2.036	6	120.1147	2.775	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	118.3730	0.000	1	118.3730	0.000	1	118.3730	0.000	1	118.3730	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	2:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	O-2:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](OC[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	125.4405	0.166	2	125.4405	0.028	2	125.4405	0.028	2	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.7230	0.000	1	121.7230	0.000	1	121.7564	0.371	5	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.8680	0.000	1	121.8680	0.000	1	121.7564	0.371	5	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.2440	0.218	2	121.2440	0.047	2	121.7564	0.371	5	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.7030	0.000	1	122.7030	0.000	1	121.7564	0.371	5	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.4215	1.104	2	122.7152	0.455	5	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.8690	0.000	1	122.7152	0.455	5	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.9320	0.559	2	122.7152	0.455	5	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(Cl){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.9195	0.551	2	120.9195	0.303	2	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	125.7304	0.502	10	125.7304	0.252	10	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.3810	0.000	1	117.8335	41.360	2	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	113.2860	0.000	1	117.8335	41.360	2	123.5993	9.774	19	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.6630	0.000	1	121.0175	2.864	8	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.3660	0.000	1	121.0175	2.864	8	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2070	1.329	4	121.0175	2.864	8	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.0140	0.000	1	121.0175	2.864	8	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.2690	0.000	1	121.0175	2.864	8	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.1710	0.000	1	122.1710	0.000	1	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)2(NHH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.6750	0.000	1	122.6750	0.000	1	121.2986	2.592	10	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.1145	1.012	2	117.1145	1.024	2	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.0555	0.180	2	119.0555	0.033	2	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4600	0.277	2	116.4600	0.077	2	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.4830	0.000	1	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.6220	0.280	2	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.1503	0.577	3	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.0560	0.000	1	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.4470	0.592	18	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.6940	0.445	4	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.8750	0.615	7	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6740	0.000	1	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.3483	0.189	3	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.2873	0.177	4	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.9625	0.186	2	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.1710	0.000	1	119.5776	0.327	47	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.2640	0.160	2	116.6473	0.454	3	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.4140	0.000	1	116.6473	0.454	3	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0696	0.433	10	118.0696	0.187	10	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	120.6705	0.418	2	120.4724	0.325	7	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.3932	0.645	5	120.4724	0.325	7	119.1692	1.316	73	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.5220	0.000	1	122.5220	0.000	1	122.5220	0.000	1	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.2310	0.000	1	123.2310	0.000	1	123.2310	0.000	1	120.3991	6.179	113	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<4>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	114.3405	0.153	2	114.3405	0.024	2	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	122.7445	0.306	2	122.7445	0.094	2	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.7630	0.000	1	122.7630	0.000	1	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.7070	0.000	1	121.5314	10.734	14	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.7487	3.303	13	121.5314	10.734	14	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	124.4590	0.180	2	121.8757	20.037	3	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	116.7090	0.000	1	121.8757	20.037	3	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	117.2352	0.544	4	117.2352	0.296	4	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.5540	0.000	1	120.7383	10.621	26	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7457	3.326	25	120.7383	10.621	26	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3070	5.579	2	120.3746	12.694	53	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.1305	1.569	2	120.3746	12.694	53	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.5098	3.549	49	120.3746	12.694	53	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.9660	1.121	5	118.9660	1.256	5	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	115.8670	0.000	1	115.8670	0.000	1	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	122.2385	2.473	10	122.2385	6.116	10	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	124.3210	0.000	1	124.3210	0.000	1	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.4390	0.154	3	125.4390	0.024	3	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Sn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.4660	0.000	1	117.4660	0.000	1	120.6601	11.841	126	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(O[6a]C[6a])(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(O[6a]C[6a])(H){1|C<3>,1|C<4>,1|O<1>}	N(C[6a]C[6a]2)(CCO)(H)	126.2200	0.000	1	126.2200	0.000	1	126.2200	0.000	1	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(O[6a]C[6a])(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	120.6660	11.999	131	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]N[6a]Cl)2(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(CC[3]O)2	C[6a](C[6a]N[6a]Cl)2(NCC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[3]O)2	122.4525	1.148	2	122.4525	1.317	2	122.4525	1.317	2	120.8952	6.691	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	121.2050	2.541	2	121.2050	6.458	2	121.2050	6.458	2	120.8952	6.691	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N(C[6a]C[6a]2)2(CC[6a]O)	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	120.8952	6.691	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(N[6a]N[6a])(H){2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	123.7705	2.065	2	123.7705	4.266	2	123.7705	4.266	2	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.5870	0.296	2	118.5870	0.087	2	118.5870	0.087	2	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	121.2220	0.021	2	121.2220	0.000	2	122.3500	3.817	3	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	124.6060	0.000	1	124.6060	0.000	1	122.3500	3.817	3	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	123.0205	0.663	2	123.0205	0.439	2	121.7036	5.406	8	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	123.3057	0.793	3	123.3057	0.629	3	121.7036	5.406	8	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	119.2237	1.806	3	119.2237	3.263	3	121.7036	5.406	8	121.7818	5.396	16	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.8400	0.018	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(PC[6a]2Fe)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Fe)2	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.8400	0.018	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.7260	0.000	1	120.7260	0.000	1	121.8568	1.527	4	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.9260	0.000	2	122.9260	0.000	2	121.8568	1.527	4	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.8490	0.000	1	120.8490	0.000	1	121.8568	1.527	4	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0070	0.000	1	122.4550	0.152	3	122.1881	0.268	10	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.6790	0.057	2	122.4550	0.152	3	122.1881	0.268	10	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.3847	0.766	3	122.3847	0.587	3	122.1881	0.268	10	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.7630	0.231	2	121.7630	0.053	2	122.1881	0.268	10	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]O)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]O)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.9180	0.201	2	121.9180	0.040	2	122.1881	0.268	10	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2010	0.477	2	121.2010	0.227	2	121.0213	0.210	3	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.6620	0.000	1	120.6620	0.000	1	121.0213	0.210	3	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	127.8930	0.000	1	127.8930	0.000	1	127.8930	0.000	1	122.5592	4.442	19	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.2545	0.353	2	116.2545	0.125	2	118.4817	14.943	3	119.3425	12.926	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.9360	0.000	1	122.9360	0.000	1	118.4817	14.943	3	119.3425	12.926	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|Cl<1>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	119.3425	12.926	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.2570	0.078	2	122.2570	0.006	2	122.2570	0.006	2	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.1800	0.000	1	121.1643	0.013	3	121.1643	0.013	3	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.1565	0.161	2	121.1643	0.013	3	121.1643	0.013	3	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8920	0.000	1	119.8920	0.000	1	121.9343	5.020	6	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NHH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	124.0800	0.000	1	124.0800	0.000	1	121.9343	5.020	6	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9325	0.400	2	121.9325	0.160	2	121.9343	5.020	6	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(H)2	121.8845	4.020	2	121.8845	16.160	2	121.9343	5.020	6	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){3|C<3>}	N(C[6a]C[6a]2)(O)2	119.5150	0.000	1	119.5150	0.000	1	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){4|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1500	0.000	1	118.1500	0.000	1	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.3450	0.165	2	122.4926	0.116	5	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5910	0.427	3	122.4926	0.116	5	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	124.1410	0.173	2	124.1410	0.030	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	123.3025	0.501	2	122.7119	0.186	11	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5807	0.307	9	122.7119	0.186	11	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9280	0.437	3	121.8672	0.142	4	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6850	0.000	1	121.8672	0.142	4	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){2|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.8530	0.000	1	119.8530	0.000	1	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	122.0800	0.000	1	122.9145	1.393	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	123.7490	0.000	1	122.9145	1.393	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,2|O<2>}	N(C[6a]C[6a]2)(O)2	121.4225	0.101	2	121.4225	0.010	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|S<2>}	N(C[6a]C[6a]2)(O)2	121.9170	0.000	1	121.9170	0.000	1	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.7870	0.472	2	121.7870	0.223	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.0320	0.776	2	121.0320	0.603	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.3315	0.175	2	120.3315	0.031	2	122.0126	1.616	36	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(O)2	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	130.6545	0.046	2	130.6545	0.002	2	130.6545	0.002	2	122.3630	4.651	51	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.0520	0.000	1	123.0520	0.000	1	122.5097	2.770	4	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.6250	0.000	1	124.6250	0.000	1	122.5097	2.770	4	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.1810	0.105	2	121.1810	0.011	2	122.5097	2.770	4	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.8420	0.000	1	116.9770	0.036	2	116.9770	0.036	2	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1120	0.000	1	116.9770	0.036	2	116.9770	0.036	2	120.4479	8.525	7	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH){1|O<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]N[6a]N)2(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]N[6a]N)2(NCC){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(COO)	120.7415	2.381	4	120.7415	5.670	4	120.7415	5.670	4	120.7415	5.670	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CFHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.2510	0.304	2	119.2510	0.092	2	119.2510	0.092	2	120.9520	8.726	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a])(CF3){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	124.3540	0.000	1	124.3540	0.000	1	124.3540	0.000	1	120.9520	8.726	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:2:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN)	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN){1|B<3>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	118.8820	0.000	2	118.8820	0.000	2	118.8820	0.000	2	118.8820	0.000	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[5,6a]N)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[5,6a]N)(H){1|C<4>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5,6a]C[6a])(O)2	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	121.2130	0.000	1	121.2130	0.000	1	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	122.3367	0.356	4	122.3921	0.122	8	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	122.9990	0.000	1	122.3921	0.122	8	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	122.1620	0.000	1	122.3921	0.122	8	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	122.3145	0.170	2	122.3921	0.122	8	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[5,6a]C[6a])(H)2	123.1990	0.000	1	123.1990	0.000	1	122.3549	0.320	10	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]N)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[5,6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[5,6a]C[6a])(O)2	118.8460	0.000	1	118.8460	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]Br)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,4|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.4730	0.000	1	115.4730	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.9965	0.005	2	115.9151	0.166	10	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	116.1350	0.472	4	115.9151	0.166	10	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.6545	0.340	4	115.9151	0.166	10	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.5041	0.839	16	115.5041	0.704	16	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|S<4>,4|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.1310	0.967	2	115.1310	0.936	2	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	N(C[6a]C[5,6a]C[6a])(O)2	118.9570	0.000	1	117.8636	1.851	11	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	117.1950	0.000	2	117.8636	1.851	11	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	115.5280	0.000	1	117.8636	1.851	11	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	117.7290	0.546	5	117.8636	1.851	11	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	119.4900	2.097	2	117.8636	1.851	11	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|N<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	118.6110	0.000	1	118.6110	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){2|C<4>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	116.2660	0.000	1	116.2660	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5,6a]C[6a])(O)2	119.6247	0.295	3	119.6247	0.087	3	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|O<2>,2|N<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	119.9980	0.000	1	119.9980	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5,6a]C[6a])(O)2	120.2880	0.000	1	120.2880	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5,6a]C[6a])(O)2	118.4240	0.000	1	118.4240	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[5,6a]C[6a])(O)2	118.5717	0.460	3	118.5717	0.212	3	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	120.6610	0.000	1	120.6610	0.000	1	116.9271	3.207	53	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO){1|C<3>,1|S<2>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H){1|C<3>,1|S<2>,2|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.4930	0.000	1	118.4930	0.000	1	118.4930	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.6470	0.000	1	121.6470	0.000	1	121.5403	0.018	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.4870	0.140	2	121.4870	0.020	2	121.5403	0.018	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	119.0830	0.000	1	119.0830	0.000	1	123.2005	6.788	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	120.8550	0.000	1	120.8550	0.000	1	123.2005	6.788	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(H)2	124.8130	0.625	2	124.8130	0.391	2	123.2005	6.788	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	124.8195	0.808	2	124.8195	0.653	2	123.2005	6.788	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.8340	0.000	1	120.8340	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]H)(H){1|S<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.6720	0.000	1	119.6720	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.3750	0.000	1	119.3750	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H){1|C<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	116.8570	0.704	2	117.0505	0.215	4	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	117.2440	0.018	2	117.0505	0.215	4	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.4372	0.376	5	118.0886	3.562	8	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	115.8410	0.244	3	118.0886	3.562	8	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.3333	0.543	3	118.3333	0.295	3	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.1470	0.000	1	118.1470	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.7640	0.000	1	119.7640	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.9158	0.556	10	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.3995	0.613	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,2|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.1490	0.000	1	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.1880	0.798	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.5345	0.221	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.1715	0.033	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	117.1400	0.000	1	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.2205	0.074	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.1160	0.003	2	119.8211	1.704	24	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.8410	0.433	2	119.2325	0.609	4	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,3|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.3430	0.000	1	119.2325	0.609	4	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.9050	0.000	1	119.2325	0.609	4	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	117.1925	0.265	2	117.1925	0.070	2	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.0970	0.000	1	120.7185	0.773	2	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.3400	0.000	1	120.7185	0.773	2	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|C<4>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.9460	0.000	1	118.9460	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.5680	0.000	1	118.5680	0.000	1	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]F)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|F<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.5015	0.135	2	118.5015	0.018	2	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.6170	0.564	2	118.6170	0.318	2	119.0675	2.217	58	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	120.3760	0.000	1	120.3760	0.000	1	120.3760	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH){1|O<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6,6a]N)(F){1|F<1>,2|C<3>,2|C<4>}	N(C[6a]C[6,6a]C[6a])(H)2	118.9405	0.384	2	118.9405	0.147	2	118.9405	0.147	2	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	119.1845	0.329	2	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	118.4860	0.000	1	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	119.8080	0.000	1	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	118.6365	0.370	2	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	118.9870	0.000	1	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	116.1727	1.086	3	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	120.6007	0.704	3	118.7110	2.952	13	118.7110	2.952	13	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.2105	0.306	4	116.2105	0.093	4	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(O)2	115.2920	0.000	1	115.2920	0.000	1	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	115.4340	0.478	3	116.1364	1.434	20	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	115.6270	0.000	1	116.1364	1.434	20	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	115.8741	0.771	7	116.1364	1.434	20	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.9240	0.689	2	116.1364	1.434	20	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.5476	1.737	7	116.1364	1.434	20	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	116.2590	1.123	4	116.3672	0.801	6	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.5835	0.282	2	116.3672	0.801	6	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(O)2	116.4273	0.465	3	116.3067	0.202	4	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(O)2	115.9450	0.000	1	116.3067	0.202	4	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(O)2	116.0980	0.000	1	116.0980	0.000	1	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,2|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(O)2	117.1560	0.933	2	117.1560	0.871	2	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(O)2	116.3770	0.951	3	116.3770	0.905	3	116.2399	0.945	41	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H){1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.1855	1.257	2	114.7560	1.343	3	114.7560	1.343	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|O<2>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	113.8970	0.000	1	114.7560	1.343	3	114.7560	1.343	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Br)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(Br){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.2700	0.000	1	120.2700	0.000	1	118.2800	7.128	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|F<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]F)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.2460	0.000	1	115.2460	0.000	1	118.2800	7.128	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.3240	0.000	1	119.3240	0.000	1	118.2800	7.128	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.4769	0.404	8	119.4769	0.163	8	119.4769	0.163	8	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.6660	0.840	2	120.6660	0.706	2	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.4695	1.162	2	119.4695	1.350	2	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.7210	0.000	1	118.7210	0.000	1	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.9950	0.000	1	119.9950	0.000	1	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.1060	0.635	2	120.2816	2.611	13	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.6630	0.000	1	120.2816	2.611	13	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.0621	1.643	7	120.2816	2.611	13	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.8090	0.338	2	120.2816	2.611	13	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.7330	0.000	1	120.2816	2.611	13	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.8010	0.000	1	121.8010	0.000	1	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.9135	0.179	2	121.9135	0.032	2	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)2	125.5580	0.000	1	125.5580	0.000	1	120.6015	3.212	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a,6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	114.8410	0.000	1	114.8410	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.9250	0.000	1	115.9250	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a,6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.4980	0.000	1	115.4980	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.6450	3.236	3	118.6450	10.469	3	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.6350	0.000	1	114.6405	1.978	2	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	113.6460	0.000	1	114.6405	1.978	2	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	113.9450	0.000	1	113.9450	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.9050	0.000	1	115.9050	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.7710	0.410	2	115.7710	0.168	2	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.1500	0.000	1	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	114.9700	0.000	1	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.9318	0.460	5	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.4303	0.422	6	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	114.9850	0.264	2	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	116.6210	0.315	2	115.6219	0.379	17	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.7780	0.000	1	115.2780	0.804	6	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.1225	1.432	2	115.2780	0.804	6	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.5425	1.009	2	115.2780	0.804	6	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	114.5600	0.000	1	115.2780	0.804	6	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.6120	0.600	3	117.9487	0.816	13	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.7497	0.904	10	117.9487	0.816	13	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	116.6400	0.000	1	116.6400	0.000	1	116.3283	2.576	49	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	121.4620	0.000	1	122.0010	0.575	3	122.0010	0.575	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.2705	0.845	2	122.0010	0.575	3	122.0010	0.575	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.6550	0.164	2	119.6550	0.027	2	119.6550	0.027	2	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Cl){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(H)2	121.6873	0.777	3	120.8441	0.840	7	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	120.2117	0.182	4	120.8441	0.840	7	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	117.7079	0.374	10	117.7079	0.140	10	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	120.5847	1.139	6	120.5847	1.297	6	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|Cr<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	118.9400	0.000	1	118.9400	0.000	1	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	120.4600	0.000	1	120.8228	0.269	6	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	121.3840	0.000	1	120.8228	0.269	6	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.2250	0.000	1	120.8228	0.269	6	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9560	0.494	3	120.8228	0.269	6	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.2390	0.000	1	121.2390	0.000	1	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.5570	0.115	2	120.5570	0.013	2	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1645	0.665	2	122.1645	0.443	2	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,4|C<4>}	N(C[6a]C[6a]2)(H)2	122.5510	0.000	1	122.5510	0.000	1	119.9891	2.782	36	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.5760	0.000	1	115.5760	0.000	1	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<2>,4|C<3>}	N(C[6a]C[6a]2)(O)2	115.5270	0.000	1	115.5270	0.000	1	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>}	N(C[6a]C[6a]2)(O)2	114.5880	0.645	2	115.4462	0.655	6	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.8752	0.466	4	115.4462	0.655	6	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8900	0.000	1	118.8900	0.000	1	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N(C[6a]C[6a]2)(O)2	118.2280	0.274	2	118.2280	0.075	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(O)2	118.8890	0.113	2	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3525	0.241	2	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.0835	0.575	2	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	118.1860	0.000	1	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	117.7420	0.490	4	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.5180	0.000	1	118.1102	0.305	12	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.7770	0.000	1	118.2800	0.506	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.7830	0.000	1	118.2800	0.506	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.6720	0.805	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.0070	0.144	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.7530	0.330	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.8190	0.066	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.4140	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(C[6a]C[6a]2)(O)2	118.6120	0.301	4	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,4|C<4>}	N(C[6a]C[6a]2)(O)2	118.4270	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0530	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5710	0.000	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3040	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.2805	0.180	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N(C[6a]C[6a]2)(O)2	118.3740	0.120	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a]2)(O)2	119.0170	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	117.6690	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.9830	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.9690	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	117.1727	0.823	3	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4136	0.482	5	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.8281	0.672	7	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	118.1450	0.000	1	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.7153	0.552	3	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.0095	0.296	2	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.1135	0.613	8	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	118.2213	0.422	6	118.4945	0.483	61	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1530	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	116.8960	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.9080	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5167	0.504	3	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.7855	0.295	2	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.0060	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.3357	0.201	3	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.7090	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.3490	0.000	1	117.5106	0.168	14	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.1080	0.000	1	116.9975	0.024	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.8870	0.000	1	116.9975	0.024	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.8607	0.224	4	117.7849	0.097	10	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.7343	0.370	6	117.7849	0.097	10	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.6640	0.385	4	118.6640	0.148	4	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	113.5790	0.000	1	113.5790	0.000	1	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(C[6a]C[6a]2)(O)2	117.9060	1.657	2	117.9060	2.747	2	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.2047	1.148	4	116.1934	0.988	5	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.1480	0.000	1	116.1934	0.988	5	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,4|C<4>}	N(C[6a]C[6a]2)(O)2	117.8214	0.171	5	117.8214	0.029	5	117.9247	1.224	129	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.4663	0.529	6	119.4663	0.280	6	119.4663	0.280	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.0245	0.646	2	121.0245	0.417	2	120.6734	1.510	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.0700	0.000	1	121.3565	0.164	2	120.6734	1.510	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.6430	0.000	1	121.3565	0.164	2	120.6734	1.510	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6050	0.000	1	118.6050	0.000	1	120.6734	1.510	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.5215	0.491	2	117.9393	0.311	6	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.6482	0.315	4	117.9393	0.311	6	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1130	1.063	2	118.0547	0.576	3	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	117.9380	0.000	1	118.0547	0.576	3	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.7710	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0730	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.9540	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3427	0.236	4	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9754	0.326	7	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5012	0.670	4	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.9750	0.004	2	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6230	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1367	0.523	3	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3510	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.8800	0.317	2	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.2230	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2513	0.524	3	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6170	0.000	1	118.1778	0.164	32	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1750	0.000	1	118.1750	0.000	1	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.4110	0.000	1	117.5377	0.019	3	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	117.6010	0.120	2	117.5377	0.019	3	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.8777	0.492	14	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.6377	0.249	16	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9420	0.317	3	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.2510	0.384	3	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.9500	0.000	1	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	117.6140	0.000	1	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6740	0.450	4	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9398	0.235	6	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.0380	0.161	2	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.2283	0.525	3	117.7874	0.241	53	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0240	0.000	1	117.8864	0.221	7	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5100	0.232	3	117.8864	0.221	7	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.2170	0.474	3	117.8864	0.221	7	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4878	0.383	4	118.1989	0.200	9	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1960	0.000	1	118.1989	0.200	9	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.9108	0.405	4	118.1989	0.200	9	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.7860	0.000	1	117.7860	0.000	1	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.6490	0.000	1	115.6670	0.001	2	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.6850	0.000	1	115.6670	0.001	2	117.9070	0.326	117	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	117.9395	0.582	6	117.9653	0.188	12	117.6188	0.949	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.9380	0.176	3	117.9653	0.188	12	117.6188	0.949	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.0443	0.377	3	117.9653	0.188	12	117.6188	0.949	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.9258	1.396	6	116.9258	1.949	6	117.6188	0.949	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(F){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.3290	0.000	1	121.3290	0.000	1	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.1140	0.000	1	121.1140	0.000	1	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.0960	0.000	1	121.0960	0.000	1	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4810	0.000	1	121.5965	0.540	12	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.1490	0.000	1	121.5965	0.540	12	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.6528	0.796	10	121.5965	0.540	12	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	121.9885	0.866	2	121.8253	0.455	3	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.4990	0.000	1	121.8253	0.455	3	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4943	0.535	3	119.4943	0.286	3	121.2693	0.957	21	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	N(C[6a]C[6a]2)(O)2	116.7000	0.000	1	116.7000	0.000	1	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.1980	0.000	1	119.1980	0.000	1	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4845	0.254	2	118.4845	0.064	2	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,2|C<4>,2|S<2>}	N(C[6a]C[6a]2)(O)2	118.4250	0.000	1	118.5500	0.063	3	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.6125	0.319	2	118.5500	0.063	3	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.6930	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7810	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.3677	0.673	3	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(O)2	118.8067	0.252	3	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.8160	0.313	2	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.5150	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8872	0.585	4	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.6010	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	119.4305	0.111	2	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(O)2	118.7460	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7040	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.1493	0.314	3	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.3720	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.7020	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0312	0.451	4	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.5880	0.028	3	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.9820	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.2200	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.8910	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7180	0.485	18	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5860	0.000	1	118.8078	0.277	54	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.3505	0.647	2	118.3505	0.419	2	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6770	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.6860	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3870	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9950	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0890	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0150	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0730	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.3940	0.000	1	118.1645	0.178	8	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.4862	0.412	4	118.4862	0.169	4	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.7980	0.000	1	119.3775	0.354	2	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|O<1>}	N(C[6a]C[6a]2)(O)2	118.9570	0.000	1	119.3775	0.354	2	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N(C[6a]C[6a]2)(O)2	116.7100	0.000	1	116.7100	0.000	1	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3920	0.127	2	117.9225	0.433	4	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.4530	0.632	2	117.9225	0.433	4	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.5930	0.000	1	117.5930	0.000	1	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.4270	0.000	1	115.4270	0.000	1	118.5747	0.535	84	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(Cl){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|F<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(F){2|F<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.6590	0.178	2	123.6590	0.032	2	123.4643	0.130	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.0750	0.000	1	123.0750	0.000	1	123.4643	0.130	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NHH){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.1373	0.124	3	122.1373	0.015	3	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(H)2	121.3320	0.000	1	121.4873	0.138	4	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.4170	0.000	1	121.4873	0.138	4	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.0240	0.000	1	121.4873	0.138	4	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.1760	0.000	1	121.4873	0.138	4	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.1980	0.000	1	120.1980	0.000	1	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.4002	0.804	5	120.4002	0.647	5	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.6467	0.186	7	121.6467	0.034	7	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	125.0910	0.000	1	125.0910	0.000	1	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.5080	0.000	1	124.5080	0.000	1	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NHH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	125.7890	0.000	1	125.7890	0.000	1	121.8033	2.299	23	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	116.4740	0.000	1	116.4740	0.000	1	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	117.9830	0.000	1	117.9830	0.000	1	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.4550	0.000	1	118.4550	0.000	1	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.1770	0.496	2	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.1125	0.059	2	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.5530	0.000	1	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	118.6990	0.000	1	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.5710	0.518	2	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.2763	0.307	3	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.0105	0.852	4	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5512	0.941	4	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	118.8260	0.000	1	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	118.1487	0.216	3	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4745	0.329	2	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3880	0.000	1	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6326	0.398	7	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.4410	0.265	3	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.0105	0.110	2	118.6692	0.388	38	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6800	0.828	5	118.3548	0.457	10	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.0296	0.278	5	118.3548	0.457	10	118.5469	0.481	51	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	116.2490	0.385	3	116.2490	0.148	3	116.2490	0.148	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.2347	1.493	3	121.8977	1.235	7	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.3950	0.465	4	121.8977	1.235	7	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	121.5130	0.000	1	121.3653	0.055	3	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.0940	0.000	1	121.3653	0.055	3	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.4890	0.000	1	121.3653	0.055	3	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.7230	0.000	1	121.7015	3.214	4	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.0160	0.000	1	121.7015	3.214	4	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.5335	0.053	2	121.7015	3.214	4	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.4100	0.000	1	120.4420	0.002	2	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.4740	0.000	1	120.4420	0.002	2	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	124.1565	0.080	2	124.1565	0.006	2	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.9360	0.841	2	121.9360	0.708	2	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	122.6967	0.958	4	122.6602	0.538	10	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.3855	0.172	2	122.6602	0.538	10	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.7610	0.787	4	122.6602	0.538	10	122.1286	1.462	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.1690	0.000	1	121.1690	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1600	0.000	1	118.1600	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]N)2(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.8675	0.251	2	117.8675	0.063	2	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5740	0.000	1	121.5740	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.9760	0.000	1	123.0267	1.064	3	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	123.1750	0.000	1	123.0267	1.064	3	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9290	0.000	1	123.0267	1.064	3	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.0290	0.000	1	119.6404	0.897	43	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5724	0.894	40	119.6404	0.897	43	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8075	0.750	2	119.6404	0.897	43	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.4200	0.000	1	120.4200	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	117.6190	0.000	1	117.6190	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)2(NOO)	C[6a](C[6a]C[6a]N)2(Br)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2770	0.000	1	118.2770	0.000	1	119.7514	1.787	54	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6490	0.000	1	120.6490	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4000	0.000	1	120.4000	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(H)2	123.8520	0.000	1	123.8520	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1624	0.813	7	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.2945	0.818	2	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.6400	0.000	1	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.3350	1.190	8	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.0030	0.000	1	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	121.8415	0.274	2	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.2880	0.000	1	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.7975	0.521	2	122.1923	0.691	24	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.6140	0.000	1	122.6140	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	122.3980	1.575	6	122.3403	0.817	17	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.6170	0.000	1	122.3403	0.817	17	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	N(C[6a]C[6a]2)(H)2	122.4590	0.522	2	122.3403	0.817	17	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1702	0.196	4	122.3403	0.817	17	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.2952	0.110	4	122.3403	0.817	17	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.4920	0.000	1	122.4920	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|F<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.3880	0.000	1	122.0579	0.281	7	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.1695	0.483	6	122.0579	0.281	7	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|F<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.4280	0.000	1	122.4280	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.9530	0.000	1	122.9530	0.000	1	122.2217	0.747	55	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.9550	0.354	2	118.9550	0.125	2	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.3210	0.000	1	122.3210	0.000	1	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.9500	0.000	1	119.9500	0.000	1	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.9597	0.261	3	116.9597	0.068	3	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8160	0.000	1	120.5785	6.213	2	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.3410	0.000	1	120.5785	6.213	2	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1670	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.4557	1.042	4	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.7150	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	123.6510	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8950	1.102	8	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.2995	0.145	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	124.2155	0.267	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	122.2750	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7165	1.462	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	123.8480	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1100	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.1810	1.322	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	122.9070	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6980	0.000	1	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8934	0.950	21	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.4320	0.351	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Ir<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.7125	1.008	2	122.1553	1.058	53	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2611	1.136	16	120.2611	1.292	16	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6040	0.000	1	118.6040	0.000	1	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.3340	0.000	1	120.3340	0.000	1	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.3000	0.000	1	119.3000	0.000	1	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	119.9890	0.619	2	119.9890	0.384	2	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	118.9530	0.585	2	118.6792	0.144	8	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.2775	0.170	2	118.6792	0.144	8	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	118.7433	0.220	4	118.6792	0.144	8	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.1090	0.264	2	119.7197	0.114	6	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.5250	0.124	4	119.7197	0.114	6	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a]N)2(Cl)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0635	0.862	2	118.0635	0.743	2	120.9366	3.107	99	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.7150	0.000	1	121.6173	0.007	3	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NHH){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.5685	0.022	2	121.6173	0.007	3	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.8280	0.000	1	120.8280	0.000	1	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(H)2	120.3640	0.000	1	120.3640	0.000	1	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(NHH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.2430	0.000	1	121.2430	0.000	1	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5480	0.000	1	121.5580	0.000	2	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.5680	0.000	1	121.5580	0.000	2	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.4210	0.858	2	122.1837	0.734	14	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(H)2	121.8365	1.169	6	122.1837	0.734	14	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.4518	0.377	6	122.1837	0.734	14	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(H)2	122.6570	0.122	2	122.6570	0.015	2	121.9287	0.706	24	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	120.7780	0.000	1	120.7780	0.000	1	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	121.7870	0.000	1	121.7870	0.000	1	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.4060	0.000	1	116.5965	1.311	2	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.7870	0.000	1	116.5965	1.311	2	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9080	0.000	1	121.4905	0.679	2	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0730	0.000	1	121.4905	0.679	2	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3450	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3954	0.428	7	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.1670	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	122.4180	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.7540	0.220	3	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	123.1330	1.193	4	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5550	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9820	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2460	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	123.3130	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.7880	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1130	0.000	1	122.1517	0.945	23	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)2(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.9670	0.000	1	120.6600	1.544	3	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)2(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(O)2	120.0065	0.725	2	120.6600	1.544	3	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.8930	0.000	1	122.8930	0.000	1	121.6091	2.749	33	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-1:C-1:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C)2	119.2425	2.844	6	119.2425	8.090	6	119.2425	8.090	6	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.9943	0.799	3	119.9943	0.639	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.6800	0.000	1	120.6800	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.8380	0.000	1	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.3106	0.973	8	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	118.6360	0.000	1	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4175	0.146	2	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9560	0.000	1	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.8547	0.642	3	120.0821	0.824	16	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	118.2590	0.000	1	119.1937	0.595	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.9410	0.000	1	119.1937	0.595	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.7875	0.378	2	119.1937	0.595	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6980	0.000	1	119.9484	0.404	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.3553	0.299	4	119.9484	0.404	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.0030	0.304	2	119.9484	0.404	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4620	0.000	1	119.9484	0.404	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.0380	0.000	1	119.4038	0.275	15	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.5387	0.576	3	119.4038	0.275	15	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.3512	0.551	10	119.4038	0.275	15	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8910	0.000	1	119.4038	0.275	15	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(H)2	119.0225	1.930	2	119.0225	3.724	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6040	0.000	1	120.4832	0.889	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.0988	0.717	5	120.4832	0.889	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.2130	0.095	2	120.4832	0.889	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.6950	0.000	1	120.4832	0.889	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.6130	0.000	1	120.4832	0.889	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	116.2250	0.000	1	116.2250	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	117.9450	0.000	1	116.8875	2.237	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	115.8300	0.000	1	116.8875	2.237	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	117.7880	0.000	1	117.7880	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.1450	0.000	1	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.9020	0.368	3	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.5820	0.000	1	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6315	0.757	2	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2650	0.000	1	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.4884	2.453	5	119.1079	2.562	13	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.0200	0.000	1	120.0200	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.4530	0.000	1	118.4530	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0160	0.000	1	120.8743	0.973	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.5950	0.000	1	120.8743	0.973	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.4430	0.785	2	120.8743	0.973	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	118.7380	0.000	1	118.7380	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(H)2	119.8645	0.308	2	119.8645	0.095	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8780	0.000	1	119.0550	1.702	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.1720	1.252	2	119.0550	1.702	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	117.8260	0.000	1	119.0550	1.702	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.5980	1.268	4	119.0550	1.702	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.5830	0.151	4	118.5830	0.023	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.5450	0.000	2	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.2170	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.3020	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.7517	0.305	3	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	116.8166	0.533	5	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.5165	0.824	2	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0930	0.670	3	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.8020	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.7813	0.988	19	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(H)2	119.9090	0.356	2	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8615	0.882	4	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(H)2	119.9775	0.694	4	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4363	1.501	8	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.7313	0.341	7	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.2970	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.0889	0.785	80	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.3050	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.3367	0.094	4	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7720	0.643	4	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7833	0.314	4	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6960	0.000	1	119.4055	1.294	157	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.6510	0.000	1	119.3943	0.797	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6030	0.716	2	119.3943	0.797	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.9758	0.797	4	119.3943	0.797	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.5040	0.266	2	118.6340	0.086	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|N<4>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.8940	0.000	1	118.6340	0.086	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	120.9903	0.732	3	120.9903	0.536	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.0090	0.047	2	119.1906	0.534	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7472	0.402	8	119.1906	0.534	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){3|C<3>}	N(C[6a]C[6a]2)(H)2	120.1455	0.076	2	119.1906	0.534	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.4250	0.000	1	119.2385	0.401	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.7185	0.243	2	119.2385	0.401	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.0920	0.000	1	119.2385	0.401	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6670	0.000	1	119.6955	0.002	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.7240	0.000	1	119.6955	0.002	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4500	0.390	2	121.4500	0.152	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|S<4>}	N(C[6a]C[6a]2)(H)2	121.2345	0.388	2	121.1923	0.081	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.1080	0.000	1	121.1923	0.081	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	120.1540	0.000	1	120.7338	1.277	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.7854	1.260	8	120.7338	1.277	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9010	0.000	1	120.7338	1.277	10	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.8387	0.761	7	120.8387	0.579	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8645	0.216	2	120.8645	0.047	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|Cl<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.3800	0.000	1	121.3800	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.7620	0.000	1	121.7620	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.5620	0.000	1	122.5620	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(H)2	119.8570	0.000	1	120.1068	0.414	11	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.0570	0.000	1	120.1068	0.414	11	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8852	0.618	6	120.1068	0.414	11	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(H)2	119.5700	0.000	1	120.1068	0.414	11	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6900	0.007	2	120.1068	0.414	11	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.4390	0.000	1	120.4390	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.8980	0.000	1	120.8980	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.1090	0.000	1	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.6415	0.202	2	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.6420	0.000	1	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.7390	0.000	1	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.1036	1.375	5	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.6960	2.063	2	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.9250	0.000	1	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.7190	0.000	1	120.4519	1.239	14	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.5830	0.000	1	118.7657	1.382	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|N<4>}	N(C[6a]C[6a]2)(H)2	118.6732	0.686	4	118.7657	1.382	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.8670	0.000	1	118.7657	1.382	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	117.2170	0.000	1	118.7657	1.382	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9430	0.000	1	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.8860	0.000	1	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.9645	0.626	2	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.7040	0.000	1	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8780	0.000	1	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.3368	1.058	14	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.5184	1.332	22	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.1128	0.573	10	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.6510	0.529	2	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.4927	0.759	3	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|N<4>}	N(C[6a]C[6a]2)(H)2	119.1552	1.053	5	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	118.8215	0.199	2	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<4>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.5490	0.000	1	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.0798	0.912	10	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.5557	1.284	3	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1105	0.131	2	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.9437	2.431	3	120.5404	1.589	83	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.0805	0.149	2	119.5290	0.615	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.4260	0.000	1	119.5290	0.615	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.8120	0.000	1	121.8120	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.7330	0.000	1	122.0050	0.148	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.2770	0.000	1	122.0050	0.148	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.5820	0.000	1	120.8388	3.166	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	125.0740	0.000	1	120.8388	3.166	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<1>}	N(C[6a]C[6a]2)(H)2	121.0610	0.000	1	120.8388	3.166	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.9100	0.363	3	120.8388	3.166	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.4363	1.449	6	120.8388	3.166	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	118.6100	0.000	1	118.6100	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.9660	0.000	1	118.9660	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.1270	0.485	2	122.2955	0.116	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.4640	0.004	2	122.2955	0.116	4	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(H)2	122.4070	0.000	1	122.4070	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.8980	0.209	2	121.8980	0.044	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.2620	0.147	2	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.8440	0.000	1	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.4794	0.753	9	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.3430	0.000	1	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.6970	0.000	1	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.2854	0.632	9	122.2736	0.479	23	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(H)2	119.0403	0.996	3	119.0403	0.992	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	118.8400	0.000	1	118.8400	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.4540	0.000	1	120.1911	0.363	22	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.4580	0.597	10	120.1911	0.363	22	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	119.8186	0.499	9	120.1911	0.363	22	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.0170	0.000	1	120.1911	0.363	22	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<4>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.7870	0.000	1	120.1911	0.363	22	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.6575	0.600	2	120.6575	0.360	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	123.4460	0.000	1	122.6589	1.374	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.4520	0.000	1	122.6589	1.374	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.1460	0.000	1	122.6589	1.374	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.8920	1.301	4	122.6589	1.374	7	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)2	114.1010	0.000	1	114.1010	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.8270	0.000	1	121.8270	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.5690	0.000	1	122.5690	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(H)2	123.3460	0.000	2	123.3460	0.000	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(H)2	123.7600	0.000	1	123.7600	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8760	0.000	1	120.8760	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.6980	0.000	1	121.6980	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8620	0.000	1	120.4167	0.216	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.1940	0.366	2	120.4167	0.216	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(H)2	121.3590	0.000	1	121.3590	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(H)2	121.0110	0.000	1	121.0110	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1273	0.646	4	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.5000	0.090	3	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.5150	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2460	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6273	0.293	4	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.8620	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.3830	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.3150	1.233	2	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.4363	0.595	11	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4472	0.336	4	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9830	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.1380	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.3003	0.557	6	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.6003	0.441	14	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.9500	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.7990	0.000	1	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.2810	0.151	2	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8007	1.096	7	120.6613	0.449	65	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.3140	0.000	1	120.3140	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.0540	0.283	2	120.0540	0.080	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.4050	0.000	1	120.1066	0.393	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	119.9125	0.812	2	120.1066	0.393	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6950	0.000	1	120.1066	0.393	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.1010	0.181	2	120.1066	0.393	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8630	0.098	2	120.1066	0.393	8	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.1890	0.244	3	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9455	0.368	4	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.9680	0.262	3	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.1390	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7600	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.5790	0.623	4	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.4420	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9728	0.424	8	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.9160	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	117.5120	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3767	0.879	10	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.8965	0.078	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.1280	0.018	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.8160	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.6310	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4594	0.526	5	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2985	0.570	26	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.4187	0.556	3	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	120.6250	0.006	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4870	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9014	0.600	5	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.3887	0.169	3	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|As<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.3689	0.788	8	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.2155	0.506	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8835	0.432	64	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8359	0.864	66	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.7655	0.251	4	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.2075	1.484	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.7468	0.743	34	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.8201	0.702	54	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	120.1958	0.828	8	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.7139	0.813	41	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.8481	0.726	27	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(H)2	120.5705	0.669	4	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.7484	0.647	470	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<5>}	N(C[6a]C[6a]2)(H)2	120.6805	0.377	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8555	3.497	31	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.2644	0.634	5	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9029	0.910	453	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.4820	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	121.1260	0.817	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9430	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9935	0.336	2	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.7460	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.2600	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.9460	0.495	6	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1202	0.518	18	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.2820	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4923	1.454	3	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.9540	0.000	1	120.7883	0.866	1400	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.0700	0.000	1	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.7985	1.261	2	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.5580	0.000	1	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.4610	0.000	1	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8794	0.587	5	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.8775	0.582	26	120.6639	0.501	36	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4500	0.793	3	121.4500	0.628	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.5853	0.264	3	121.0768	0.298	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9210	0.000	1	121.0768	0.298	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9862	0.705	5	121.0768	0.298	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.7710	0.126	3	121.0768	0.298	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.6335	0.213	2	121.5206	0.302	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4980	0.601	10	121.5206	0.302	12	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2965	0.585	2	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.0810	0.000	1	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8000	0.000	1	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.1367	0.370	8	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.6420	0.000	1	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.4810	0.000	1	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3593	0.678	9	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.9500	0.865	2	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3678	0.381	4	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8632	0.331	4	120.7803	0.492	33	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	119.8960	0.000	1	119.8960	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.5455	0.308	2	121.5455	0.095	2	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.7400	0.000	1	121.7400	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.5470	0.000	1	120.5470	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.0570	0.266	5	121.0570	0.071	5	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	118.5100	0.000	1	118.5100	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.7060	0.000	1	119.8567	0.575	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.4320	0.262	2	119.8567	0.575	3	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.2620	0.000	1	119.2620	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.7160	0.000	1	121.7160	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.4280	0.000	1	122.4280	0.000	1	120.6029	1.235	2116	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.0070	0.000	1	116.0070	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	112.2851	0.157	7	112.2851	0.025	7	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.5260	0.000	1	114.5260	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.9460	0.000	1	116.9460	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.6788	0.277	4	117.6788	0.076	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9515	0.804	2	118.4753	0.582	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.0240	0.000	1	118.4753	0.582	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9740	0.000	1	118.4753	0.582	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4820	0.194	5	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7704	0.356	17	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.5788	0.373	6	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6732	0.308	5	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2595	0.067	2	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.0310	0.000	1	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1976	0.579	10	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.6410	0.000	1	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7250	0.000	1	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6000	0.564	6	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6415	0.309	4	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.8805	0.882	2	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.8753	0.442	3	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1412	0.601	5	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.7550	0.671	8	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0643	0.351	3	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.9435	0.584	4	118.5000	0.319	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.2240	0.000	1	118.1226	0.338	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1787	0.550	16	118.1226	0.338	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6620	0.000	1	116.6620	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.8490	0.000	1	114.8490	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.7827	0.848	8	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.7872	0.345	6	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2441	0.508	10	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1853	0.489	9	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0425	0.471	20	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2323	0.480	3	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.4410	0.000	1	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5307	0.225	3	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.5125	0.542	4	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.9930	0.000	1	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.8363	0.466	4	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.1085	0.678	2	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1545	0.567	31	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.3180	0.331	6	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6910	0.000	1	118.1621	0.301	109	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2110	0.000	1	118.0098	0.174	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0047	0.557	3	118.0098	0.174	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.8240	0.000	1	118.0098	0.174	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.1950	0.000	1	116.1950	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.0660	0.437	2	115.9547	0.133	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.7320	0.000	1	115.9547	0.133	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.9274	0.729	5	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5220	0.000	1	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5890	0.000	1	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.4700	0.000	1	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3250	0.000	1	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.0515	1.105	4	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2782	0.444	5	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.6870	0.139	2	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5087	0.185	3	116.6539	0.538	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4680	0.000	1	116.8370	0.272	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.2060	0.000	1	116.8370	0.272	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5454	0.545	12	118.5454	0.296	12	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	113.4710	0.349	2	113.4710	0.122	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6230	0.000	1	118.6230	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2120	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.5418	0.346	9	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.2146	0.592	11	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.0390	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1940	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.5810	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9360	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.4785	0.436	2	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9215	0.873	2	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.1835	0.182	2	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.6037	0.265	4	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.5620	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.7770	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8088	0.469	4	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.1047	0.582	26	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.3510	0.000	1	119.1093	0.353	68	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.3768	0.822	4	118.4333	0.455	6	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.5465	0.457	2	118.4333	0.455	6	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.1250	0.000	1	118.1250	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	117.8820	0.000	1	117.8820	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.3735	0.193	2	117.3735	0.037	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4420	0.000	1	116.4420	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.3330	0.000	1	114.3330	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.1122	0.606	5	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3426	0.117	5	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.1794	0.255	7	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9977	0.261	4	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.5176	0.383	8	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.1407	0.631	4	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.2031	0.435	13	118.4101	0.258	46	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.6955	0.175	2	117.6955	0.031	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.7100	0.000	1	114.7100	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2930	0.000	1	116.2930	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.0730	0.000	1	116.3030	0.106	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5330	0.000	1	116.3030	0.106	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6000	1.266	2	116.6000	1.602	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.7980	0.000	1	115.7980	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6140	0.490	3	116.3671	0.613	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.8870	0.488	5	116.3671	0.613	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.1970	1.172	2	116.3671	0.613	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.7090	0.000	1	116.4133	0.066	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3147	0.201	3	116.4133	0.066	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.9180	0.000	1	115.6890	0.105	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.4600	0.000	1	115.6890	0.105	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4180	0.249	3	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.9540	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.7860	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.1470	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.1683	0.618	3	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3760	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.9937	0.961	3	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6460	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5690	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5910	0.000	1	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2795	0.766	13	116.3256	0.498	29	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3650	0.000	1	116.2050	0.013	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.1517	0.052	3	116.2050	0.013	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.0947	0.334	3	116.0947	0.112	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|As<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.6150	0.000	1	117.6150	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.4010	0.000	1	116.7367	1.390	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.4045	0.322	2	116.7367	1.390	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.8160	0.000	1	116.8160	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.5950	0.000	1	117.0234	0.954	44	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(O)2	115.1820	0.000	1	117.0234	0.954	44	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.1050	0.949	41	117.0234	0.954	44	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	115.9500	0.000	1	117.0234	0.954	44	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.5370	0.000	1	115.1160	0.670	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N(C[6a]C[6a]2)(O)2	115.6950	0.000	1	115.1160	0.670	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	116.1185	2.276	2	116.1185	5.181	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.0187	2.144	3	114.8535	5.851	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.3580	0.000	1	114.8535	5.851	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.5170	0.000	1	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.4250	0.000	1	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.3740	0.000	1	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3230	0.553	5	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.3563	0.172	4	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.8380	0.000	1	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6628	1.302	4	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3893	0.366	4	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	113.8923	1.514	4	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.8245	0.252	2	116.2822	2.505	27	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.1415	0.179	2	116.1381	1.004	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2987	1.007	7	116.1381	1.004	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.0070	0.000	1	116.1381	1.004	10	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4760	0.000	1	116.0355	0.388	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.5950	0.000	1	116.0355	0.388	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.2420	0.728	2	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.7328	0.495	6	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.3800	0.547	4	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.4082	0.512	4	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.7355	0.012	2	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(O)2	115.5380	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.7635	1.094	2	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	110.7230	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6603	0.608	4	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.0700	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.5290	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.0250	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.8590	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.0600	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.9027	0.657	89	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6234	0.507	10	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.4647	0.542	3	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	116.5280	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.1587	0.551	7	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.8505	1.286	13	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.8227	0.870	218	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3640	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.7001	0.709	12	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5195	0.677	4	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(O)2	116.8220	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.0410	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(O)2	115.0100	0.042	2	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4410	0.000	1	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.5260	0.072	2	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.9377	0.817	24	116.5338	0.935	420	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.5295	0.138	2	116.0308	1.201	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.8715	0.508	2	116.0308	1.201	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.5391	0.372	10	116.0308	1.201	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.7239	1.368	9	116.0308	1.201	23	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.6690	0.000	1	116.2758	0.960	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.2135	0.391	4	116.2758	0.960	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.5852	0.723	6	116.2758	0.960	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(O)2	115.3850	0.000	1	115.3850	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.4200	0.000	1	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.2065	0.383	21	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.1690	0.000	1	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.7180	0.000	1	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.1705	0.938	37	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.0180	0.603	48	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.8070	0.940	30	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){3|C<3>}	N(C[6a]C[6a]2)(O)2	116.3353	0.832	9	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.2277	0.757	3	115.5743	0.815	151	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.1845	1.289	2	115.1845	1.662	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.6440	0.000	1	116.8640	0.097	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.0840	0.000	1	116.8640	0.097	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.5725	0.169	2	116.4434	0.395	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.7080	0.871	2	116.4434	0.395	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.6560	0.000	1	116.4434	0.395	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.0490	1.129	2	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.6000	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2030	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.0147	0.696	3	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.5620	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.0955	0.787	2	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6940	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(O)2	116.0217	0.346	6	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(O)2	115.0450	0.000	2	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	115.1390	0.000	2	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5095	1.172	2	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.1890	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.2110	0.000	1	115.8124	0.523	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.3530	0.000	1	114.3530	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.3914	0.511	5	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.8965	0.145	2	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.4660	0.000	1	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.9240	0.000	1	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.7147	0.300	8	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.0600	0.000	1	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.2540	0.000	1	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.4704	0.612	7	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.6935	0.460	2	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3345	1.066	2	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.9423	0.427	3	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	113.1113	0.368	3	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3550	0.000	1	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.8993	0.504	20	115.1758	0.700	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.8680	0.475	2	114.2891	0.254	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	114.7714	0.247	5	114.2891	0.254	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	114.4760	0.000	1	114.2891	0.254	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	113.9135	0.250	10	114.2891	0.254	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N(C[6a]C[6a]2)(O)2	117.6290	0.733	2	117.6290	0.537	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.5920	0.000	1	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.2760	0.702	3	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	115.9150	0.000	1	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.6540	0.000	1	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.8579	0.557	19	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|Ir<7>,1|C<3>}	N(C[6a]C[6a]2)(O)2	116.7255	0.814	2	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	117.0575	0.520	2	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.9845	0.772	16	116.8580	0.442	45	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	116.9710	0.000	1	116.9710	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.2370	0.000	1	116.2370	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.8030	0.000	1	116.5500	0.145	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.0710	0.000	1	116.5500	0.145	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.5740	0.000	1	116.5500	0.145	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	116.6510	0.516	2	116.5500	0.145	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(O)2	115.6900	0.000	1	115.6900	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.0320	1.192	2	117.0320	1.421	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.2130	0.866	7	116.1997	0.465	12	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.9230	0.266	2	116.1997	0.465	12	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(O)2	116.5805	0.104	2	116.1997	0.465	12	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	115.8980	0.000	1	116.1997	0.465	12	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.3350	0.000	1	115.3350	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.3270	0.000	1	118.3270	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Fe<10>,1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.8670	0.000	1	117.8670	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.5810	0.000	1	117.8453	0.487	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.7630	0.000	1	117.8453	0.487	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.1920	0.000	1	117.8453	0.487	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.5370	0.000	1	117.5370	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.6370	0.000	1	117.6370	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.9596	0.235	7	118.0824	0.248	16	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.3160	0.000	1	118.0824	0.248	16	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.8410	0.000	1	118.0824	0.248	16	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6610	0.408	3	118.0824	0.248	16	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.1155	0.656	4	118.0824	0.248	16	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9640	0.000	1	118.0055	0.003	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|F<1>}	N(C[6a]C[6a]2)(O)2	118.0470	0.000	1	118.0055	0.003	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	116.4390	0.000	1	116.4390	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<2>}	N(C[6a]C[6a]2)(O)2	115.6630	0.000	1	115.6630	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	115.2610	0.000	1	115.2610	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	115.6528	0.173	5	115.6528	0.030	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.0274	1.154	7	116.0274	1.331	7	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.9553	0.464	4	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.2555	0.426	2	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3610	0.619	8	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3705	0.063	2	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.4490	0.000	1	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.6540	0.000	1	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3727	0.314	3	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.5046	0.847	48	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Ir<7>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0960	0.000	1	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.6430	0.000	1	116.5231	0.728	71	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.3120	0.000	1	116.3120	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.0660	0.000	1	116.1106	1.379	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.9686	1.135	13	116.1106	1.379	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0010	0.000	1	116.1106	1.379	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0960	0.000	1	116.9895	2.449	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.8830	0.000	1	116.9895	2.449	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.1830	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.4980	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.5802	0.150	5	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	116.7447	0.668	3	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.2160	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.8035	0.276	2	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8080	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.8530	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.0240	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.7290	0.801	11	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.4844	0.776	124	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	117.2065	0.346	2	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.2780	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.0830	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.8180	0.824	4	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(O)2	116.5340	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<6>}	N(C[6a]C[6a]2)(O)2	116.4490	0.000	1	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.3300	1.270	6	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.5466	0.847	5	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.8707	0.478	6	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.2050	0.078	2	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0195	0.033	2	116.7463	0.836	182	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6885	0.121	2	116.6885	0.015	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.5250	0.000	1	115.5250	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	116.9575	0.222	4	116.3330	0.843	30	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.8554	0.593	17	116.3330	0.843	30	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.2675	0.633	8	116.3330	0.843	30	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	114.4790	0.000	1	116.3330	0.843	30	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.1736	0.299	7	115.9212	0.323	9	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.0380	0.202	2	115.9212	0.323	9	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.7770	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.1810	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.2900	0.020	2	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.3250	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3800	0.886	3	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	116.6661	0.617	8	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.1926	0.490	214	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.8947	0.194	3	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	113.7850	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(O)2	116.4850	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	116.6469	0.515	70	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6434	0.241	5	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3338	0.311	4	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	115.7819	1.572	26	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.5128	1.374	22	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	116.2493	0.630	3	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.4760	0.000	1	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.8973	0.655	3	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.7410	1.353	3	116.2180	0.628	372	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.3555	0.436	2	115.3555	0.190	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.2770	1.005	4	116.3963	0.938	6	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	116.6350	1.220	2	116.3963	0.938	6	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.1840	0.000	1	117.1840	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.0340	0.547	3	117.0340	0.299	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.0147	1.160	4	117.2440	1.272	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.1610	0.000	1	117.2440	1.272	5	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.4373	0.206	3	116.4373	0.042	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6218	0.664	9	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.4512	0.715	5	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|S<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.0110	0.000	1	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.9333	0.786	9	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.8990	0.000	1	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.3731	0.538	29	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Ir<7>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6070	0.000	1	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6260	0.284	6	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.3090	0.000	1	117.3815	0.368	62	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.3425	0.117	2	117.3425	0.014	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.3670	0.000	1	117.3670	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.7475	0.346	2	117.7475	0.120	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.3960	0.000	1	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.1850	0.497	6	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.2910	0.000	1	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.0300	0.000	1	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.2370	0.000	1	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6017	0.599	19	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6787	0.581	3	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	118.1810	0.173	4	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.3000	0.727	2	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.2727	0.183	3	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.8430	0.698	14	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.4950	0.000	1	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	117.6280	0.198	2	117.4005	0.487	58	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6030	0.000	1	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.6816	0.426	7	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.4390	0.000	1	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	116.6500	0.000	1	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.6840	0.000	1	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.1473	0.558	6	116.5312	0.305	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.8655	0.192	2	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.4617	0.578	4	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.5643	0.632	36	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.7750	0.216	3	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	117.4421	0.991	72	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	117.7622	0.641	4	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.7401	0.815	55	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.7924	0.661	30	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.0557	0.599	3	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	116.7115	0.361	2	116.9961	0.786	211	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.3934	0.626	8	116.3934	0.392	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(O)2	116.3750	0.348	2	116.3750	0.121	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	116.3480	0.000	1	116.3480	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(O)2	117.1480	0.000	1	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|S<2>}	N(C[6a]C[6a]2)(O)2	116.7150	1.057	6	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	117.0491	0.674	29	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(O)2	117.6304	0.132	5	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	116.1154	0.617	135	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|S<2>}	N(C[6a]C[6a]2)(O)2	116.7100	0.000	1	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	115.0340	0.000	1	116.3334	0.578	178	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	116.0930	0.000	1	116.0930	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	116.5764	0.688	20	115.7442	0.885	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	115.8665	0.449	8	115.7442	0.885	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(O)2	117.2590	0.000	1	115.7442	0.885	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	115.0606	0.603	28	115.7442	0.885	57	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.3750	0.000	1	116.8945	0.462	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4140	0.000	1	116.8945	0.462	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|Br<1>,1|B<3>,1|C<4>}	C[6a](C[6a]B[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.2710	0.132	2	119.2710	0.017	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]B[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|B<3>,1|C<4>,1|H<1>}	C[6a](C[6a]B[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.0110	0.161	2	120.0110	0.026	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.2800	0.000	1	120.1677	0.082	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.1115	0.380	2	120.1677	0.082	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	120.0020	0.617	3	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.8430	0.541	3	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	120.5230	0.000	1	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.5064	0.339	18	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.9965	0.289	4	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.6240	0.315	7	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	120.7970	0.000	1	120.1979	0.258	37	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	120.5630	0.000	1	120.5630	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	119.8770	0.000	1	119.8900	0.368	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	121.2400	0.000	1	119.8900	0.368	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.7335	0.366	4	119.8900	0.368	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.5345	0.071	2	119.8900	0.368	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	116.3210	0.000	1	116.3210	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.4330	0.000	1	117.4330	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.7935	0.050	2	117.4257	0.219	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.4278	0.402	12	117.4257	0.219	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.2355	0.712	4	117.4257	0.219	18	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.9547	0.456	3	116.9547	0.208	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	119.2430	0.000	1	119.2430	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.3445	1.105	2	118.4031	0.327	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.4945	0.448	4	118.4031	0.327	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.2790	0.628	2	118.4031	0.327	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	117.4810	0.000	1	117.5977	0.153	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.1750	0.000	1	117.5977	0.153	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.3675	0.071	2	117.5977	0.153	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|S<2>}	N(C[6a]C[6a]2)(O)2	117.9435	0.244	2	117.9435	0.060	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[3,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(O)2	118.2890	0.000	1	118.2890	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.6175	0.037	2	118.4403	0.095	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.0860	0.000	1	118.4403	0.095	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6440	0.000	1	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.8315	0.411	4	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2285	0.240	4	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1260	0.000	1	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5160	0.486	2	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0900	0.467	2	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1830	0.075	4	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2020	0.018	2	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4970	0.000	1	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.5030	0.000	1	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6620	0.000	1	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5810	0.160	2	118.4073	0.117	25	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	117.1330	0.404	2	117.1330	0.164	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.8280	0.000	1	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.4050	0.000	1	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8150	0.248	3	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.0113	0.418	14	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.6790	0.718	12	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.5340	0.000	1	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.1520	0.445	4	118.4202	0.427	36	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Au<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2715	0.418	2	118.2715	0.175	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2990	0.000	1	118.2990	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	118.5900	0.000	1	118.5900	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.1130	0.000	1	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.9210	0.000	1	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.9600	0.000	1	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8380	0.000	1	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6990	0.000	1	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5745	0.127	2	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.9980	1.018	2	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.9898	2.241	4	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.0335	0.320	2	119.0468	1.785	15	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<2>,1|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.3900	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.8265	0.711	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.7645	0.247	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7410	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.1900	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.2560	0.335	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4230	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5973	0.646	20	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.9095	0.603	4	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4420	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2415	0.455	4	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.1883	0.540	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8530	1.123	8	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	118.7240	0.931	8	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7634	0.674	30	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	118.8270	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.4660	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1740	0.485	55	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4813	0.153	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3300	0.731	7	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.3780	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.2960	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4450	0.712	64	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9090	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<5>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9970	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7130	0.221	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5957	0.047	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.5931	0.410	34	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7572	0.329	26	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4060	0.293	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7955	0.457	4	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9587	0.465	8	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.3415	0.383	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.3800	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.3803	0.346	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9425	0.021	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6115	0.374	4	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7750	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	118.1090	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<2>}	N(C[6a]C[6a]2)(O)2	118.7600	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.3856	0.483	10	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0895	0.511	160	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	119.4470	0.470	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.7313	0.349	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2971	0.460	258	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5615	0.449	18	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4285	0.522	19	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Ir<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3030	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6760	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5990	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0220	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.2840	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9987	0.609	3	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.5990	0.496	4	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.4637	0.471	30	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6986	0.663	822	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4660	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.6260	0.229	2	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7770	0.000	1	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4807	0.488	85	118.6538	0.417	1741	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.2040	0.000	1	118.2795	0.127	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.0557	0.483	3	118.2795	0.127	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.4143	0.328	6	118.2795	0.127	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2170	0.000	1	118.2795	0.127	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.5162	0.286	4	118.5694	0.251	9	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.6120	0.660	5	118.5694	0.251	9	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.1630	0.345	2	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.4334	0.343	7	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9320	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<3>,2|H<1>,2|N<4>}	N(C[6a]C[6a]2)(O)2	118.7110	0.621	4	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.3165	0.447	4	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.3345	0.022	2	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.6920	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.4210	0.115	2	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.8087	0.210	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2970	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0937	0.518	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0883	0.238	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	118.1947	0.304	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.8346	0.250	9	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.0455	0.418	2	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.1663	0.098	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.6620	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.3293	0.119	3	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4230	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3720	0.000	1	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.6548	0.145	4	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3528	0.410	4	118.4537	0.189	64	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.3590	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0340	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.2435	0.349	2	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.0790	1.668	3	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	117.9280	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	N(C[6a]C[6a]2)(O)2	117.9800	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.1330	0.158	2	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	117.8458	1.143	5	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.3880	0.037	2	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|S<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.5700	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.2373	0.228	4	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.2893	0.510	9	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	117.6450	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	118.3203	0.571	33	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.4675	0.120	2	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4900	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7810	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2167	0.388	3	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.8350	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1885	0.033	2	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.2712	0.194	6	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.2380	0.000	1	118.3321	0.395	83	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2350	0.000	1	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.6196	0.373	7	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7034	0.654	21	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	117.7990	0.281	2	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9922	0.430	4	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.1722	0.104	5	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9913	0.382	47	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.5290	0.000	1	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8790	0.000	1	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6360	0.631	2	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.2043	0.389	4	118.2933	0.328	95	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8440	0.000	1	118.6527	0.834	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6590	0.000	1	118.6527	0.834	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.4550	0.000	1	118.6527	0.834	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Au<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0110	0.464	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5450	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4030	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.1050	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.0600	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.9570	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2955	1.104	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.1790	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.5250	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.4890	0.760	3	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6020	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2465	0.693	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8770	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3658	0.305	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7826	0.244	5	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.5283	2.138	3	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.6345	1.621	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	119.0002	0.814	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9675	0.747	31	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	119.7348	0.217	5	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.6730	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8098	0.568	163	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.3250	0.113	3	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.1644	0.473	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<5>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.1760	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.7710	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0370	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5750	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	120.5200	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.7692	0.696	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.2410	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8930	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6880	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.7330	0.339	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.5365	0.578	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6877	0.426	21	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7845	0.498	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.1130	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.6049	0.772	32	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4705	0.131	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	118.7340	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<1>}	N(C[6a]C[6a]2)(O)2	118.9070	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.5405	0.690	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.5167	0.614	262	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.4219	0.730	54	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	119.7000	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.3150	0.517	20	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(O)2	117.5355	0.528	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.9749	0.476	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6688	0.581	149	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6030	0.370	7	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.0661	0.564	58	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7000	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3960	0.571	12	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.5700	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.8190	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.4670	0.025	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6690	0.652	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.5840	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.8773	0.378	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7062	0.780	17	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	118.6150	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9750	0.410	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7944	0.378	19	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7910	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8380	0.430	3	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.2950	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5300	0.294	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3110	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2655	0.730	6	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.8962	0.627	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0321	0.471	33	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7636	0.341	5	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|As<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6085	0.224	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Au<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5675	1.104	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4955	0.621	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5305	0.267	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0530	0.905	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8566	0.697	82	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8400	0.652	1185	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<5>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4920	0.025	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<2>}	N(C[6a]C[6a]2)(O)2	118.2920	0.829	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.9216	0.623	144	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.1668	0.739	1114	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	118.7864	0.772	30	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0493	0.630	515	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	119.0533	1.133	8	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.9470	0.520	78	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(O)2	118.4688	0.423	16	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.4629	0.509	459	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7450	1.072	113	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7157	0.588	2544	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.9050	0.600	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.4086	0.598	12	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9550	1.486	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8768	0.340	6	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.3735	0.859	6	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3615	0.636	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8930	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.3594	0.674	7	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.6753	0.646	21	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	118.8770	0.120	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9882	0.438	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6484	0.419	5	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.9916	0.392	47	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6670	0.542	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8750	0.130	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0538	0.329	5	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2210	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	119.5780	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<2>}	N(C[6a]C[6a]2)(O)2	118.0880	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.4870	0.276	10	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.3375	0.541	185	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	119.7965	0.437	4	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	119.2710	0.427	3	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7961	0.516	305	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0347	0.591	18	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.9434	0.399	19	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7630	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.1170	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4610	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7850	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.3410	0.116	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1120	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.0902	0.902	6	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4075	0.448	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.1395	0.019	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1305	0.122	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.9750	0.000	1	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7105	0.790	2	118.8877	0.461	8040	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.3000	0.000	1	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7226	0.360	8	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	116.9690	0.000	1	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2163	0.409	16	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7660	0.000	1	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5905	0.182	2	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.2080	0.529	3	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.6390	0.000	1	118.3248	0.255	33	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.0505	0.179	2	118.8550	0.131	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.4640	0.000	1	118.8550	0.131	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.3030	0.000	1	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2380	0.125	4	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1429	0.721	17	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(O)2	117.6360	0.000	1	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7297	0.377	4	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.8997	0.343	19	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.5360	0.000	1	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6970	0.000	1	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8725	0.378	2	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.4015	0.784	4	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7515	0.131	2	118.1504	0.348	56	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3373	0.244	3	118.3373	0.060	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|S<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9830	0.000	1	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7210	0.000	1	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3645	0.367	2	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9420	0.000	1	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.7937	0.372	6	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.0315	0.101	4	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9930	0.498	33	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6992	0.515	5	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7399	0.624	14	118.3714	0.387	67	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.2140	0.000	1	119.0987	2.215	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.0410	2.100	2	119.0987	2.215	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3090	0.294	2	119.1543	0.115	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8450	0.000	1	119.1543	0.115	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.1390	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9895	0.209	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1203	0.636	20	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.6180	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.8990	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0298	0.681	66	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.6000	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.9070	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2535	0.750	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7390	0.519	4	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3342	0.472	21	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5602	0.641	4	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4420	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.1713	0.522	30	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.9830	0.392	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	117.2860	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<1>}	N(C[6a]C[6a]2)(O)2	119.0610	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.6955	0.721	8	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9423	0.595	261	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.4555	0.590	51	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(O)2	118.7420	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.6985	0.506	20	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(O)2	117.8235	0.247	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.0028	0.503	8	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.8084	0.419	117	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.7662	0.384	6	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.2339	0.497	59	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2339	0.517	12	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.7330	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.3660	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.1595	0.159	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.0995	0.467	8	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3456	0.456	16	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1674	0.696	8	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2750	0.324	2	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.5746	0.799	40	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.8746	0.492	44	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.2533	0.856	26	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.2950	1.160	26	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9465	0.530	55	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.7045	0.369	28	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3137	0.604	279	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7938	0.506	39	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.5960	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.9587	0.627	3	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.9352	0.256	4	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9611	0.775	30	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.2360	0.648	851	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.6740	0.000	1	118.4026	0.494	2169	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.4010	0.188	2	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.8420	0.000	1	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.6700	0.562	3	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.9850	0.000	1	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.8277	0.453	3	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0090	0.000	1	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.1292	0.379	5	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.7470	0.000	1	117.9720	0.276	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	117.1810	0.000	1	117.9782	0.229	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.8300	0.000	1	117.9782	0.229	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.2840	0.235	2	117.9782	0.229	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.9265	0.429	12	117.9782	0.229	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9330	0.000	1	117.9782	0.229	17	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.4910	0.000	1	118.2090	0.067	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.9850	0.000	1	118.2090	0.067	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1510	0.000	1	118.2090	0.067	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.7150	0.000	1	118.3500	0.117	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.0360	0.000	1	118.3500	0.117	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.2990	0.000	1	118.3500	0.117	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.3298	1.440	6	119.1649	1.582	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.6700	0.212	2	119.1649	1.582	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.8420	0.458	2	117.9032	0.276	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.9645	0.777	2	117.9032	0.276	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.0790	0.000	1	118.1233	0.007	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<9>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1455	0.108	2	118.1233	0.007	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.4140	0.000	1	115.4140	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.5805	0.756	4	115.5805	0.572	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.3850	0.000	1	116.6852	1.380	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	114.6850	0.000	1	116.6852	1.380	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6110	0.277	2	116.6852	1.380	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.5475	0.550	4	116.6852	1.380	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.9000	0.000	2	116.9000	0.000	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.3285	1.261	2	116.1842	0.469	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3965	0.094	2	116.1842	0.469	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3680	0.466	7	116.1842	0.469	11	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.5780	0.000	1	116.4537	0.171	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6340	0.444	2	116.4537	0.171	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.9690	0.000	1	116.4537	0.171	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.9320	0.000	1	116.9320	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.4737	0.702	16	117.4285	0.451	19	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.1873	0.508	3	117.4285	0.451	19	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.8820	0.000	1	116.3172	0.827	20	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.9403	0.696	15	116.3172	0.827	20	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.1220	0.000	1	116.3172	0.827	20	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.3935	0.336	2	116.3172	0.827	20	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	117.4490	0.000	1	116.3172	0.827	20	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.9810	0.462	2	114.9810	0.214	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	114.9370	0.000	1	116.0380	2.424	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.1390	0.000	1	116.0380	2.424	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.1820	0.000	1	115.1820	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.6130	0.000	1	117.6130	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.9240	0.000	1	115.5839	0.565	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.5820	0.650	3	115.5839	0.565	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.5070	0.000	1	115.5839	0.565	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.3285	0.411	2	115.5839	0.565	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	114.8370	0.000	1	115.5839	0.565	8	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	116.2220	0.000	1	116.7727	0.380	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.0480	0.552	2	116.7727	0.380	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.0830	0.492	4	117.0830	0.242	4	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.9173	0.179	3	119.9173	0.032	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.6370	0.000	1	117.6370	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	116.6950	0.000	1	116.6950	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.8890	0.000	1	118.1330	0.429	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.7550	0.010	2	118.1330	0.429	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.7255	0.692	2	117.7255	0.479	2	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.5190	0.000	1	118.0353	0.202	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	118.2935	0.069	2	118.0353	0.202	3	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.2640	0.000	1	116.2640	0.000	1	118.3743	1.319	15414	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.7970	0.000	1	122.8829	0.177	11	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.3460	0.000	1	122.8829	0.177	11	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.9858	0.312	6	122.8829	0.177	11	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.8480	0.000	1	122.8829	0.177	11	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.9030	0.962	2	122.8829	0.177	11	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	123.3080	0.000	1	123.3080	0.000	1	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	124.2820	0.000	1	124.2820	0.000	1	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]I)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(H)2	121.3941	0.971	14	121.3941	0.944	14	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]I)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1207	0.082	3	122.1207	0.007	3	122.1727	1.167	30	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.6630	0.000	1	117.6630	0.000	1	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5300	0.000	1	118.5300	0.000	1	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5676	0.678	5	121.8402	0.813	6	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.2030	0.000	1	121.8402	0.813	6	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]I)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	119.0190	0.000	1	118.9105	0.024	2	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]I)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	118.8020	0.000	1	118.9105	0.024	2	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]I)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	118.6570	0.000	1	118.6570	0.000	1	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]I)2(NOO)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	118.0540	0.000	1	118.2552	0.309	4	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]I)2(NOO)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(O)2	118.3223	0.661	3	118.2552	0.309	4	119.7822	3.471	15	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	112.7200	0.000	1	112.7200	0.000	1	113.7355	2.062	2	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(O){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	114.7510	0.000	1	114.7510	0.000	1	113.7355	2.062	2	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(O){1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7578	0.438	4	120.9406	0.311	5	119.5508	2.193	11	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)2(O){1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6720	0.000	1	120.9406	0.311	5	119.5508	2.193	11	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(O){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.3927	0.772	6	118.3927	0.596	6	119.5508	2.193	11	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|B<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	117.3695	0.581	2	117.7365	0.375	4	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|Br<1>,1|B<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.1035	0.500	2	117.7365	0.375	4	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(O)2	119.0250	0.000	1	119.0250	0.000	1	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.1460	0.000	1	118.1460	0.000	1	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(O)2	115.3545	0.419	4	115.3545	0.176	4	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>}	N(C[6a]C[6a]2)(O)2	114.1680	0.000	1	114.1680	0.000	1	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)2	117.3060	0.000	1	117.7013	0.248	7	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)2	117.7672	0.511	6	117.7013	0.248	7	117.0896	1.934	18	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7725	0.402	2	118.1180	0.916	4	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.1240	0.000	1	118.1180	0.916	4	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	116.8030	0.000	1	118.1180	0.916	4	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.1150	0.000	1	118.8787	0.264	3	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.7605	0.667	2	118.8787	0.264	3	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	121.6140	0.000	1	121.6140	0.000	1	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	121.7937	0.266	6	121.7937	0.071	6	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	115.6870	0.000	1	115.6870	0.000	1	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(O)2	114.2000	0.000	1	114.2000	0.000	1	119.4607	6.071	16	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	116.9920	0.470	2	117.0013	0.110	3	117.0013	0.110	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	117.0200	0.000	1	117.0013	0.110	3	117.0013	0.110	3	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.5100	0.000	1	121.5100	0.000	1	123.8202	3.228	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	125.8310	0.000	1	125.8310	0.000	1	123.8202	3.228	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.1595	0.173	2	123.1595	0.030	2	123.8202	3.228	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	125.4410	0.000	1	125.4410	0.000	1	123.8202	3.228	5	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|O<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	N(C[6a]N[5a,6a]C[6a])(H)2	128.1520	0.000	1	128.1520	0.000	1	126.9921	0.808	8	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	126.6025	0.736	4	126.6025	0.542	4	126.9921	0.808	8	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	126.1080	0.000	1	126.1080	0.000	1	126.9921	0.808	8	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	127.6335	0.689	2	127.6335	0.475	2	126.9921	0.808	8	118.6868	2.108	18730	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.4560	0.000	1	121.4560	0.000	1	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.3475	0.260	2	121.3475	0.067	2	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6])(H)	121.3890	0.112	2	121.3890	0.012	2	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	121.0240	0.000	1	121.0240	0.000	1	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	122.2979	0.454	7	122.2979	0.206	7	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(NC)(H)	123.5293	0.575	7	123.5293	0.330	7	122.4372	1.016	20	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)(H)	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.8930	0.000	1	118.8930	0.000	1	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.4495	0.693	6	119.5005	0.374	8	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.6535	0.398	2	119.5005	0.374	8	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	119.7630	0.000	1	119.7630	0.000	1	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.0905	0.538	2	119.0905	0.290	2	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC)(H)	119.5220	0.000	1	119.5220	0.000	1	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.9477	3.169	4	121.9125	6.314	6	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(NC)(H)	121.8420	1.192	2	121.9125	6.314	6	120.2020	3.379	19	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.3980	0.352	2	118.4478	0.558	5	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.4810	1.025	3	118.4478	0.558	5	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	118.2040	0.000	1	118.2040	0.000	1	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)2(NHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC)(H)	121.9955	5.095	4	121.9955	25.960	4	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)2(NHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	122.4495	6.549	2	122.4495	42.883	2	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)2(NHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NN)(H)	121.7105	3.765	2	121.7105	14.178	2	120.4818	14.075	14	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|S<2>}	N(C[6a]C[6a]2)(SS)(H)	120.9030	0.000	1	120.9030	0.000	1	120.9030	0.000	1	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<2>}	N(C[6a]C[6a]2)(CN)(H)	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(NN)(H)	122.3260	0.000	1	122.3260	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.0535	0.553	4	120.6096	0.496	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	121.5200	0.000	1	120.6096	0.496	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	120.4630	0.000	1	120.6096	0.496	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	120.3342	0.724	9	120.6096	0.496	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	120.5490	0.000	1	120.6096	0.496	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[5])(H)	121.6660	0.000	1	121.0385	0.788	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[5])(H)	120.4110	0.000	1	121.0385	0.788	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	120.4780	0.522	4	120.6648	1.809	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	122.5520	0.314	2	120.6648	1.809	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.6557	1.272	3	120.6648	1.809	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	122.8950	0.000	1	121.4190	4.357	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)(H)	119.9430	0.000	1	121.4190	4.357	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.8685	0.650	2	121.8685	0.422	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	122.1295	0.760	6	122.1295	0.578	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	121.4330	0.000	1	121.4330	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	122.5205	0.470	2	122.5205	0.221	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	123.4407	0.736	3	123.4022	0.407	5	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC)(H)	123.3445	0.730	2	123.4022	0.407	5	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NC[5])(H)	123.2730	0.000	1	123.2730	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.9320	0.000	1	120.9320	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.8005	0.183	2	120.2543	0.278	163	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.3175	0.314	13	120.2543	0.278	163	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.2414	0.542	148	120.2543	0.278	163	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[5])(H)	120.2523	0.316	15	120.2523	0.100	15	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.3885	0.661	2	120.3727	0.379	30	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	120.2690	0.000	1	120.3727	0.379	30	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.8827	0.810	3	120.3727	0.379	30	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(NC[6])(H)	120.2999	0.291	7	120.3727	0.379	30	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	120.6110	0.563	17	120.3727	0.379	30	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)(H)	120.1460	0.000	1	120.1460	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6])(H)	123.4020	0.141	2	123.4020	0.020	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6])(H)	121.3890	0.601	2	121.3890	0.361	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)(H)	122.4370	0.576	8	122.5839	0.484	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(NC)(H)	123.7590	0.000	1	122.5839	0.484	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5])(H)	122.2960	0.174	2	122.2960	0.030	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NN)(H)	123.1214	0.372	7	123.1214	0.138	7	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)(H)	122.3200	0.000	1	122.3200	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])(H)	122.0380	0.000	1	122.0380	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(NC)(H)	121.0170	0.000	1	121.1167	0.624	3	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC)(H)	121.1665	1.111	2	121.1167	0.624	3	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.1955	0.319	2	120.1955	0.102	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.3455	4.133	2	119.3455	17.082	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1575	3.010	2	120.1575	9.061	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	118.8210	0.000	1	120.3658	2.870	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	121.4003	0.547	3	120.3658	2.870	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.5865	2.634	2	120.3658	2.870	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.3545	0.243	2	120.5990	4.398	4	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.8435	3.294	2	120.5990	4.398	4	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	120.3715	0.131	2	120.3715	0.017	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	121.9300	0.000	1	119.3515	13.297	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	116.7730	0.000	1	119.3515	13.297	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.8510	4.868	2	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.6448	1.684	9	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	117.5230	0.000	1	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1089	1.973	16	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1958	2.299	21	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1102	1.767	34	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.0353	2.285	6	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NC)(H)	119.9829	1.685	10	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.2070	1.800	90	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC)(H)	120.1575	1.898	16	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC)(H)	119.7765	2.504	4	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1761	2.018	114	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.0674	1.725	38	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	120.0215	1.885	22	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	117.3920	0.904	2	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.2855	2.932	2	120.0863	3.689	387	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	119.6492	1.032	6	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	120.0447	1.756	10	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5])(H)	119.5511	1.101	8	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[5])(H)	120.2125	2.910	2	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[5])(H)	120.1635	2.741	2	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	119.7739	1.710	20	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	119.8308	1.512	6	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	118.9450	0.337	2	119.7831	2.327	56	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5a])(H)	120.0623	1.788	4	120.1368	3.832	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5a])(H)	120.2860	3.083	2	120.1368	3.832	6	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	121.0650	0.000	1	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.3890	0.090	4	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	120.1535	1.608	4	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.7946	1.433	8	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.8807	2.932	10	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.7709	2.634	8	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.8423	2.386	4	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.0297	4.147	4	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.8726	2.284	20	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	119.8145	2.936	4	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6])(H)	119.6675	2.981	6	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.8270	0.000	1	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	122.0510	0.000	1	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	118.0773	0.199	3	119.6779	5.568	78	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.1590	1.838	4	119.4823	3.163	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.6029	1.616	10	119.4823	3.163	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.5260	3.639	2	119.4823	3.163	16	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	119.1990	0.000	1	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	120.3880	2.681	2	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	120.5498	2.288	4	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	119.8505	1.897	2	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(NN)(H)	120.5450	3.391	2	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NN)(H)	120.0595	1.242	2	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	119.8710	1.810	6	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NN)(H)	120.3570	3.094	2	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NN)(H)	120.1638	2.448	4	120.1472	3.591	25	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.2070	0.000	1	121.2070	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	121.8598	0.275	4	121.8598	0.076	4	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.1988	1.578	9	121.1988	2.490	9	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	121.1070	0.000	1	121.1070	0.000	1	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	120.9815	2.317	4	120.9815	5.368	4	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(NC)(H)	120.0640	0.137	2	120.0640	0.019	2	120.2364	2.998	893	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC[6a])(O)	118.3340	1.489	4	118.3340	2.216	4	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)(O)	114.1380	0.000	1	114.1380	0.000	1	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	117.2210	0.000	1	117.2210	0.000	1	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])(O)	117.2910	0.000	1	117.2910	0.000	1	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.4265	2.435	2	119.5754	2.783	20	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.9791	1.692	8	119.5754	2.783	20	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.2822	1.657	10	119.5754	2.783	20	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)(O)	121.7720	0.000	1	119.7137	1.728	9	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(O)	119.4564	1.137	8	119.7137	1.728	9	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NO)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NO)(O)	118.9903	0.973	4	118.9903	0.946	4	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)(O)	116.0930	0.000	1	117.8770	5.940	3	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NN)(O)	118.7690	2.666	2	117.8770	5.940	3	119.0816	3.197	43	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(OH)(H)	116.0710	0.000	1	116.0710	0.000	1	118.1113	3.159	3	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N)(H){4|C<3>}	N(C[6a]C[6a]2)(OH)(H)	119.1315	0.272	2	119.1315	0.074	2	118.1113	3.159	3	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(ORh)(O)	115.7970	0.000	1	115.7970	0.000	1	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(OBa)(O)	116.4475	0.559	2	116.4475	0.313	2	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(ONi)(O)	116.6160	0.000	1	116.6160	0.000	1	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(OBa)(O)	116.8270	0.000	1	116.8270	0.000	1	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OCa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(OCa)(O)	115.2125	0.466	2	115.2125	0.217	2	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(OLi)(O)	116.0080	0.000	1	115.7395	0.144	2	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<3>}	N(C[6a]C[6a]2)(OLi)(O)	115.4710	0.000	1	115.7395	0.144	2	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)(O)	118.3955	1.226	4	118.3955	1.503	4	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(OH)(O)	119.7340	0.229	2	119.7340	0.052	2	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)(O)	118.5178	1.026	4	118.5178	1.053	4	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(OIr)(O)	117.9293	0.560	3	117.9293	0.313	3	117.4976	2.377	22	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(SC[6a])(H)	122.3670	0.000	1	122.3670	0.000	1	121.0454	4.973	5	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(SC[6a])(H)	120.4425	2.368	2	120.7150	5.903	4	121.0454	4.973	5	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a])(H)	120.9875	3.436	2	120.7150	5.903	4	121.0454	4.973	5	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a])(H)	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	120.1784	3.416	1024	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NNO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(ORh)(NO)	118.4410	0.000	1	118.4410	0.000	1	118.4410	0.000	1	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CS)2	120.6120	0.610	2	120.6120	0.372	2	120.6120	0.372	2	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:N-2:	C[6a](C[6a]C[6a]H)2(NNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(NC)	C[6a](C[6a]C[6a]H)2(NNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])(NC)	119.5802	1.070	4	119.5802	1.145	4	119.5802	1.145	4	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:N-2:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OAl)(NO)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OAl)(NO)	118.6363	1.232	6	118.6363	1.519	6	118.6363	1.519	6	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(OH)2	112.1020	0.000	1	112.1020	0.000	1	117.8202	10.329	5	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(OH)2	119.1765	0.595	2	119.2498	0.148	4	117.8202	10.329	5	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(OH)2	119.3230	0.260	2	119.2498	0.148	4	117.8202	10.329	5	118.8281	3.929	18	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:C-3:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OC[6])(CCO)	119.5245	0.566	2	119.5245	0.321	2	119.5245	0.321	2	119.5245	0.321	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5])(CCHH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(CCHH)	120.7000	0.047	2	120.7000	0.002	2	120.3478	0.331	4	120.3478	0.331	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NNb[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NNb[5])(CH3)	119.9955	0.704	2	119.9955	0.495	2	120.3478	0.331	4	120.3478	0.331	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	124.3470	0.000	1	124.3470	0.000	1	124.7417	0.759	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	125.4125	0.545	4	125.4125	0.297	4	124.7417	0.759	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	124.2040	0.000	1	123.9790	0.362	3	124.7417	0.759	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	123.8665	0.805	2	123.9790	0.362	3	124.7417	0.759	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	123.6830	0.300	3	123.6830	0.090	3	123.6830	0.090	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl)	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	127.1400	1.639	2	127.1400	2.687	2	127.1400	2.687	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	121.8640	0.000	1	121.8640	0.000	1	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	124.3375	0.631	2	124.3375	0.399	2	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	118.4700	0.717	2	118.4700	0.514	2	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	128.6267	0.394	3	128.6267	0.155	3	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	124.3360	0.550	2	124.3360	0.303	2	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	126.8290	0.000	1	126.8290	0.000	1	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	123.4653	0.427	3	123.4653	0.182	3	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	123.4543	0.887	9	123.4543	0.786	9	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	124.1713	1.405	4	123.3511	12.145	19	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	123.1323	3.866	15	123.3511	12.145	19	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	123.4740	3.333	2	123.4740	11.111	2	123.6582	8.913	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	123.8556	0.379	8	123.8556	0.144	8	123.8556	0.144	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	126.8845	1.756	2	127.6739	1.259	8	127.6739	1.259	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	127.9370	0.902	6	127.6739	1.259	8	127.6739	1.259	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	122.5880	1.239	2	122.5880	1.535	2	123.1172	1.443	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	123.6465	1.293	2	123.6465	1.673	2	123.1172	1.443	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	121.6565	0.872	2	120.7130	5.620	5	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	120.9610	0.000	1	120.7130	5.620	5	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	119.6455	4.195	2	120.7130	5.620	5	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	120.9460	0.000	1	120.9460	0.000	1	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	122.2230	0.000	1	122.2230	0.000	1	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	121.4620	0.000	1	122.0945	0.534	4	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	122.3053	0.731	3	122.0945	0.534	4	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CNN)(H)	120.9250	0.000	1	120.9250	0.000	1	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	123.4510	0.000	1	123.4510	0.000	1	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	123.1680	0.000	1	123.1680	0.000	1	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	123.9220	1.222	2	123.9220	1.493	2	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	123.7550	1.528	4	123.7550	2.335	4	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	120.3905	0.105	2	120.3905	0.011	2	122.1046	3.397	22	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	120.4900	0.000	1	120.2540	0.111	2	120.2540	0.111	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	120.0180	0.000	1	120.2540	0.111	2	120.2540	0.111	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,4|C<3>}	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.6815	1.520	2	120.6815	2.309	2	120.3750	1.105	6	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.1860	0.000	1	120.1860	0.000	1	120.3750	1.105	6	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	118.8670	0.000	1	118.8670	0.000	1	120.3750	1.105	6	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	120.9170	0.365	2	120.9170	0.133	2	120.3750	1.105	6	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	124.0620	0.000	1	124.0620	0.000	1	124.0620	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	124.2190	2.079	2	124.2190	4.322	2	124.2190	4.322	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.2664	0.774	18	120.2664	0.599	18	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.8985	0.473	4	121.8985	0.224	4	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(COO)(H)	123.1280	0.000	1	123.1280	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.6550	0.000	1	118.6550	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	121.3630	1.177	2	121.3630	1.384	2	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	122.0750	0.908	2	122.0750	0.824	2	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	121.8240	0.000	1	121.8240	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	119.3535	1.621	2	119.7425	3.226	12	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	122.7560	0.000	1	119.7425	3.226	12	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	117.9838	1.133	4	119.7425	3.226	12	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.8182	0.891	4	119.7425	3.226	12	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.2390	0.000	1	119.7425	3.226	12	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	119.6480	0.000	1	119.6480	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	119.7560	0.000	1	119.7560	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	121.4480	0.000	1	121.4480	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	123.6860	0.000	1	123.6860	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	121.4820	0.259	2	121.4820	0.067	2	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	120.9070	0.823	3	122.5164	5.778	5	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	123.8510	0.000	1	122.5164	5.778	5	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	126.0100	0.000	1	122.5164	5.778	5	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	121.3460	0.000	1	121.3460	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	116.9070	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.5410	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.1930	1.024	3	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	122.4940	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.0500	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.3987	0.184	3	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.9750	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.1170	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	119.4157	0.694	3	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	122.1190	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	120.6495	2.931	2	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	122.6150	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|P<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.7030	0.000	1	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.7380	0.737	2	120.2872	2.718	22	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	120.5100	0.000	1	120.5100	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	120.9990	0.000	1	121.1145	1.958	37	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	121.1177	1.419	36	121.1145	1.958	37	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	120.8230	0.000	1	121.0001	1.904	19	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	121.0099	1.419	18	121.0001	1.904	19	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(COO)(H)	120.5723	0.661	3	120.5723	0.437	3	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	126.2150	0.000	1	126.2150	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	124.3480	1.867	2	124.3480	3.485	2	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	124.7660	0.000	1	124.6553	0.010	3	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	124.6000	0.038	2	124.6553	0.010	3	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	126.5550	0.000	1	126.5550	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.3990	0.000	1	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.6515	0.107	2	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.0219	0.729	65	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.7200	0.133	2	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	126.1180	0.000	1	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	125.3505	0.510	2	125.0874	0.519	73	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	125.1683	0.492	3	125.1415	0.164	4	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	125.0610	0.000	1	125.1415	0.164	4	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	125.3530	0.000	1	125.3530	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	124.9109	0.644	10	124.9109	0.414	10	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	125.1061	0.628	13	125.1061	0.395	13	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	125.7473	0.229	3	125.7473	0.052	3	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	125.3840	0.000	1	125.3840	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	123.7978	0.240	10	123.7978	0.057	10	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	125.1134	0.549	5	125.1134	0.301	5	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	123.7600	0.000	1	123.7600	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.2640	1.263	7	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.2519	0.764	7	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	124.9675	1.145	2	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.2179	0.761	34	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.1458	0.227	5	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<4>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.2135	0.453	2	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<4>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.5810	0.791	4	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,2|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	124.0940	0.000	1	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.3730	0.000	1	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	125.7630	0.000	1	125.2292	0.604	64	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	121.9200	0.000	1	121.9200	0.000	1	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	125.3766	0.704	8	125.3766	0.496	8	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	126.9950	0.086	2	126.9950	0.007	2	123.3779	5.711	338	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	123.9350	0.823	2	123.9350	0.677	2	123.9350	0.677	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	121.4553	1.204	3	121.4553	1.451	3	121.4553	1.451	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.2680	0.000	1	119.2680	0.000	1	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.4600	0.000	1	123.4600	0.000	1	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	119.4530	0.000	1	119.4530	0.000	1	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.0680	0.000	1	123.0680	0.000	1	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.3610	0.000	1	123.3610	0.000	1	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])2(H)	125.9717	0.841	3	125.9717	0.708	3	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.9050	1.636	2	123.9050	2.677	2	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])2(H)	126.6390	1.358	3	126.6390	1.845	3	124.1732	7.050	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	122.9230	0.000	1	122.9230	0.000	1	123.8500	1.719	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(NPP)(H)	124.7770	0.000	1	124.7770	0.000	1	123.8500	1.719	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	122.4400	0.000	1	122.4400	0.000	1	122.4400	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.5590	0.000	1	120.5590	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	121.1250	0.000	1	121.1250	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.9190	0.000	1	121.9190	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.8330	0.000	1	119.8330	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	123.5550	0.000	1	123.5550	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	114.8110	0.000	1	114.8110	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.2002	2.685	6	121.2002	7.210	6	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.8080	0.000	1	121.8080	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.4170	0.000	1	121.4170	0.000	1	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(CCH)(H)	121.5745	1.189	2	121.5745	1.413	2	120.9611	5.761	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)2(H)	118.4515	0.559	2	118.4515	0.313	2	118.7950	1.365	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4250	0.000	1	120.4250	0.000	1	118.7950	1.365	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	117.8520	0.000	1	117.8520	0.000	1	118.7950	1.365	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.7360	0.000	1	121.7360	0.000	1	120.5908	5.108	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	120.0224	2.986	5	120.0224	8.918	5	120.5908	5.108	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCH)(H)	121.7370	0.000	1	121.7370	0.000	1	120.5908	5.108	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]C)(H)	120.2340	0.000	1	120.2340	0.000	1	120.5908	5.108	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4980	0.000	1	121.4980	0.000	1	120.5908	5.108	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I){1|H<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	119.7765	0.754	2	119.7765	0.569	2	119.7765	0.569	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.8447	4.222	3	118.8447	17.827	3	117.7168	5.597	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1528	0.824	6	117.1528	0.680	6	117.7168	5.597	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1344	2.825	9	118.1344	7.983	9	118.1344	7.983	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCH)(H)	121.5850	0.000	1	121.5850	0.000	1	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	124.7580	0.000	1	124.7580	0.000	1	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.1470	0.713	2	124.1470	0.508	2	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.6740	0.000	1	116.6740	0.000	1	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.2140	4.144	2	121.2140	17.170	2	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.2680	0.000	1	116.2680	0.000	1	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.8590	0.000	1	117.8590	0.000	1	120.8740	12.859	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,4|C<4>}	N(C[6a]C[6a]2)2(H)	120.9590	0.000	1	120.9590	0.000	1	124.1341	3.121	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	126.5277	2.303	3	124.3458	2.575	15	124.1341	3.121	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	123.9573	0.659	11	124.3458	2.575	15	124.1341	3.121	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)2(H)	122.0740	0.000	1	124.3458	2.575	15	124.1341	3.121	16	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH){1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	112.1073	0.467	8	112.1073	0.218	8	112.1073	0.218	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	123.4140	0.000	1	123.4140	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.7800	0.000	1	123.4370	0.817	6	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.7840	0.000	1	123.4370	0.817	6	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.3600	0.000	1	123.4370	0.817	6	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.8993	0.535	3	123.4370	0.817	6	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.2410	0.154	2	119.2410	0.024	2	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.9555	4.719	2	122.4052	12.830	10	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	128.0110	0.000	1	122.4052	12.830	10	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.2560	0.000	1	122.4052	12.830	10	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1460	0.000	1	122.4052	12.830	10	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.7456	0.993	5	122.4052	12.830	10	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	122.4940	3.162	2	122.4940	9.999	2	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	124.7250	0.000	1	124.7250	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCN)(H)	116.7240	0.000	1	116.7240	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.1325	3.813	4	120.1325	14.536	4	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	123.2473	0.411	4	123.2473	0.169	4	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	124.5020	0.000	1	124.5020	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	123.8950	0.000	1	123.8950	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(CNN)(H)	124.7120	0.000	1	124.7120	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	125.6790	0.556	4	125.6790	0.309	4	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	126.4900	0.000	1	126.4900	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	127.3745	0.142	2	127.3745	0.020	2	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	127.9320	0.000	1	127.9320	0.000	1	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	129.9025	0.384	2	129.9025	0.147	2	123.4393	11.167	44	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.8090	0.000	1	122.8090	0.000	1	122.8090	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)2(H)	122.0330	0.000	1	123.4430	3.976	2	123.5397	2.016	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	124.8530	0.000	1	123.4430	3.976	2	123.5397	2.016	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)2(H)	123.7330	0.000	1	123.7330	0.000	1	123.5397	2.016	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(NHH)(H)	122.1065	0.151	2	122.1065	0.023	2	122.9547	2.170	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(NCC)(H)	124.6510	0.000	1	124.6510	0.000	1	122.9547	2.170	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O){1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	115.7690	0.000	1	115.7690	0.000	1	115.7690	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	119.0160	0.000	1	119.0160	0.000	1	119.0160	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.1950	0.000	1	121.1950	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.9790	0.395	2	120.9790	0.156	2	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	118.6010	0.000	1	118.6010	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.9780	0.000	1	120.4135	0.791	13	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.5048	0.795	4	120.4135	0.791	13	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9390	0.000	1	120.4135	0.791	13	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7770	0.282	7	120.4135	0.791	13	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	121.3930	0.000	1	121.3930	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.2060	0.000	1	119.2060	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.3140	0.000	1	120.3140	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.0523	1.630	7	120.0122	2.289	8	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.7320	0.000	1	120.0122	2.289	8	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.8170	0.000	1	120.5263	1.151	7	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.8970	1.050	5	120.5263	1.151	7	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.3820	0.000	1	120.5263	1.151	7	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.0720	0.000	1	120.0720	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|H<1>,1|I<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.0730	0.000	1	121.0730	0.000	1	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.2250	2.447	2	121.2250	5.986	2	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1498	0.885	6	121.1498	0.783	6	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	120.9665	1.122	2	120.9665	1.259	2	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHS)(H)	121.3160	1.066	2	121.3160	1.137	2	120.5486	1.243	49	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	117.1227	0.105	3	117.1227	0.011	3	117.1227	0.011	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	119.6830	0.000	1	119.6830	0.000	1	120.1760	0.486	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.6690	0.000	1	120.6690	0.000	1	120.1760	0.486	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	118.9320	0.000	1	118.9320	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5212	0.662	6	119.5212	0.439	6	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3383	1.015	3	119.3383	1.030	3	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.7165	0.098	2	116.7165	0.010	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.8275	0.074	2	118.8275	0.006	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.3500	0.000	1	116.3500	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	119.5030	0.000	1	119.5030	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.0040	0.000	1	119.1535	0.045	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.3030	0.000	1	119.1535	0.045	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0970	0.000	1	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.2600	0.000	1	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0030	0.000	1	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.4450	0.000	1	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.6744	1.041	17	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.2053	1.425	3	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7532	1.142	5	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1316	1.568	5	119.7738	1.327	34	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	120.4420	0.000	1	119.4380	2.016	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	118.4340	0.000	1	119.4380	2.016	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	119.4800	0.000	1	119.4800	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.8267	0.617	3	118.8267	0.381	3	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.3940	0.000	1	118.3940	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.1940	0.515	5	118.1940	0.265	5	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	119.6880	0.000	1	119.6880	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.5130	0.000	1	118.5130	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9460	0.000	1	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.2540	0.000	1	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9849	0.550	7	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.8469	1.186	12	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2315	0.713	4	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5370	0.000	1	119.1046	1.413	26	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.2820	0.000	1	119.4955	0.091	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.7090	0.000	1	119.4955	0.091	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.8047	0.415	3	117.8047	0.172	3	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.1440	0.511	2	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	117.3835	0.146	2	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.8796	1.212	14	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.8940	1.290	2	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.1070	0.000	1	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.8000	0.000	1	119.2302	2.365	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1870	0.000	1	119.1870	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.6650	0.000	1	120.6650	0.000	1	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	121.3110	0.518	2	121.3110	0.268	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.5290	0.472	2	120.5290	0.223	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.3330	0.748	2	121.3057	0.442	10	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.2989	0.699	8	121.3057	0.442	10	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.1970	2.451	2	121.1970	6.007	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	121.5475	1.482	4	121.5475	2.196	4	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.2572	0.477	18	121.2572	0.228	18	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	121.5343	1.571	4	121.5343	2.468	4	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	121.3137	0.726	4	121.3137	0.527	4	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHS)(H)	121.2270	1.735	2	121.2270	3.011	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.1036	1.442	10	121.1547	1.078	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	121.1973	0.592	12	121.1547	1.078	22	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.0235	0.906	2	120.0235	0.820	2	119.9654	2.215	193	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	118.5965	0.223	2	118.5965	0.050	2	118.5965	0.050	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.6707	1.060	4	120.6707	1.124	4	120.6707	1.124	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.4259	0.694	7	122.4259	0.481	7	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.7395	1.654	2	118.7395	2.735	2	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.4857	0.670	4	121.4857	0.449	4	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.1692	0.736	4	122.0122	1.072	48	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	122.1075	0.944	42	122.0122	1.072	48	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.6965	2.969	2	122.0122	1.072	48	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)2(H)	122.7590	5.890	2	122.7590	34.694	2	121.9446	1.881	63	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NHH)(H)	119.9725	0.094	2	119.9725	0.009	2	119.5435	1.653	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	120.5660	0.000	1	120.5660	0.000	1	119.5435	1.653	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NPdC)(H)	117.6630	0.000	1	117.6630	0.000	1	119.5435	1.653	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	121.0850	0.000	1	121.0850	0.000	1	118.6637	4.411	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	117.4530	0.165	2	117.4530	0.027	2	118.6637	4.411	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.0595	2.392	2	122.0595	5.722	2	122.0595	5.722	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	117.6450	0.000	1	117.6450	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.0780	0.656	2	118.0780	0.431	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5220	0.000	1	117.5220	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6612	2.062	6	119.6612	4.250	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	114.2770	0.000	1	114.2770	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	118.9215	0.356	2	118.3096	0.462	5	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	117.9017	0.486	3	118.3096	0.462	5	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.5963	1.732	6	118.5963	3.001	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	118.4510	0.000	1	118.4510	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	117.0920	0.000	1	117.0920	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.9660	0.000	1	117.9660	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	116.2378	1.753	4	116.2378	3.072	4	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9365	0.134	2	117.2338	2.933	15	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1500	0.137	2	117.2338	2.933	15	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7720	0.270	2	117.2338	2.933	15	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.2064	2.376	8	117.2338	2.933	15	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1390	0.000	1	117.2338	2.933	15	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.7340	3.766	2	119.7340	14.183	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.6780	0.000	1	117.8438	2.600	9	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.8865	0.715	4	117.8438	2.600	9	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	119.5580	1.649	3	117.8438	2.600	9	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.6960	0.000	1	117.8438	2.600	9	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.6560	2.169	5	118.6560	4.704	5	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.2540	0.000	1	117.2540	0.000	1	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.1880	0.000	2	118.1880	0.000	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.6040	0.631	2	116.8592	1.114	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.8755	0.583	2	116.8592	1.114	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.0980	1.294	2	116.8592	1.114	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.2020	1.336	4	120.2020	1.784	4	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.8420	0.755	6	120.8420	0.570	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCN)(H)	121.0381	0.788	7	121.0381	0.621	7	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.6993	2.847	4	121.4072	1.263	36	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.3707	0.793	32	121.4072	1.263	36	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	121.4820	0.604	4	121.4820	0.365	4	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[4]O)(H)	121.2970	2.384	2	121.4467	1.579	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CC[4]O)(H)	121.5215	0.845	4	121.4467	1.579	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.1410	0.290	2	121.1410	0.084	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7463	2.121	6	121.5780	2.204	12	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4097	0.533	6	121.5780	2.204	12	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNN)(H)	121.4385	1.504	2	121.4385	2.262	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.6346	1.485	62	121.6346	2.205	62	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.2445	0.595	6	121.2445	0.354	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	122.0325	2.891	2	122.0325	8.360	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.2345	1.091	2	122.2345	1.190	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	122.0517	0.744	4	122.0517	0.554	4	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.4375	0.070	2	121.4375	0.005	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.2610	1.186	10	122.2610	1.406	10	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CHO)(H)	121.8370	2.554	2	121.9553	1.457	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	122.0145	0.489	4	121.9553	1.457	6	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHS)(H)	121.4220	1.544	2	121.4220	2.385	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	122.2025	1.289	2	122.2025	1.662	2	120.5053	4.821	246	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]F)2(NCO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(NCO){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]C)(O)	121.2760	1.254	2	121.2760	1.574	2	121.2760	1.574	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.1140	0.000	1	119.1140	0.000	1	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	115.9275	0.398	4	115.9275	0.158	4	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.3260	0.000	1	121.3260	0.000	1	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.5715	0.814	2	116.5715	0.662	2	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(F){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	119.4350	0.000	1	119.4350	0.000	1	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	123.0645	2.445	4	122.6597	6.854	6	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)2(H)	121.8500	3.790	2	122.6597	6.854	6	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.0126	1.417	10	122.0126	2.007	10	120.5125	9.274	25	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(F){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(NHH)(H)	124.8780	0.000	1	124.8780	0.000	1	122.2610	5.191	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]F)2(NHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NCH)(H)	121.9339	2.198	8	121.9339	4.831	8	122.2610	5.191	9	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]F)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]F)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	120.5505	0.172	2	120.5505	0.030	2	120.5505	0.030	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	119.4600	0.000	1	119.4600	0.000	1	119.4600	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	124.7890	0.000	1	124.7890	0.000	1	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	125.1330	0.000	1	125.1330	0.000	1	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	123.3850	0.000	1	123.3850	0.000	1	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	119.6787	2.168	6	119.6787	4.699	6	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	117.0630	0.000	1	119.7434	7.812	13	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	120.5200	3.842	2	119.7434	7.812	13	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	119.9710	3.134	4	119.7434	7.812	13	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	119.7795	2.861	6	119.7434	7.812	13	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	120.3520	0.602	2	119.7346	2.186	8	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	119.5288	1.669	6	119.7346	2.186	8	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	118.3975	2.790	2	118.3975	7.782	2	120.0848	6.710	32	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	122.2480	0.713	2	122.2480	0.508	2	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	119.8205	2.387	12	119.8205	5.699	12	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	120.1115	3.446	2	120.0786	8.662	38	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	120.0701	3.685	8	120.0786	8.662	38	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	120.3227	2.954	4	120.0786	8.662	38	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	119.9726	2.782	16	120.0786	8.662	38	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	120.1690	3.181	8	120.0786	8.662	38	120.1025	7.723	52	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	120.3030	0.000	1	120.3030	0.000	1	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	125.3457	0.268	3	125.3457	0.072	3	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	124.2905	0.308	2	124.2905	0.095	2	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	123.0460	0.000	1	123.0460	0.000	1	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	123.1135	0.093	2	123.1135	0.009	2	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	120.0460	5.334	2	120.0460	28.456	2	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	119.6070	1.372	2	119.8905	0.772	4	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	120.1740	0.335	2	119.8905	0.772	4	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	116.4000	0.000	1	118.3487	2.952	3	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	119.3230	0.457	2	118.3487	2.952	3	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	120.3100	3.720	4	120.7141	7.712	12	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	120.3025	0.445	2	120.7141	7.712	12	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	121.1207	2.868	6	120.7141	7.712	12	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	120.2127	2.945	4	120.2127	8.671	4	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	120.0434	1.169	5	120.0434	1.365	5	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	121.3360	4.542	2	120.1032	13.587	44	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	120.2173	3.704	38	120.1032	13.587	44	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	119.8120	5.735	2	120.1032	13.587	44	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	116.9925	0.400	2	120.1032	13.587	44	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	120.9560	5.692	2	120.9560	32.401	2	120.5292	10.883	85	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	119.2970	0.000	1	119.2970	0.000	1	119.0470	0.139	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	118.9220	0.430	2	118.9220	0.185	2	119.0470	0.139	3	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	122.1090	0.000	1	122.1090	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	121.2860	0.146	2	121.2860	0.021	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	122.8160	0.099	2	122.8160	0.010	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	118.9580	0.419	3	119.1205	0.223	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	119.6080	0.000	1	119.1205	0.223	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	121.5460	0.000	1	121.5460	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	122.0510	0.000	1	122.0510	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	112.1110	0.000	2	112.3760	0.094	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	112.6410	0.000	2	112.3760	0.094	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	121.8110	0.000	1	121.8110	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	125.8185	0.165	2	125.8185	0.027	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	123.2820	0.000	1	123.2820	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.8985	0.013	2	122.8985	0.000	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	121.7850	0.000	1	121.2663	1.570	6	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.7995	1.155	2	121.2663	1.570	6	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.0713	0.024	3	121.2663	1.570	6	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	121.6582	1.140	5	121.6582	1.300	5	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	120.1054	0.519	24	120.2873	0.533	34	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	120.7240	0.984	10	120.2873	0.533	34	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	121.5730	0.000	1	121.5730	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	123.9380	0.000	1	123.9380	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	121.1290	0.000	1	121.1290	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	119.5015	1.175	2	119.5015	1.379	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	116.1870	0.000	1	116.1870	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	121.2510	0.618	2	122.8674	4.922	11	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	123.2266	2.304	9	122.8674	4.922	11	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	120.6345	2.719	2	120.6345	7.392	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	120.9492	1.398	10	120.6891	2.304	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	120.2880	2.934	2	120.6891	2.304	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	120.4642	1.520	8	120.6891	2.304	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	119.5835	1.419	2	119.5835	2.014	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	119.3345	2.542	2	119.3345	6.462	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	123.7830	0.000	1	120.5550	7.524	21	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.5285	0.050	2	120.5550	7.524	21	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.1510	2.246	2	120.5550	7.524	21	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.2488	1.307	4	120.5550	7.524	21	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.4597	3.426	12	120.5550	7.524	21	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	120.0780	3.178	6	120.2542	12.690	10	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	120.5185	4.591	4	120.2542	12.690	10	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	120.2235	2.982	18	120.2235	8.890	18	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	120.0075	0.415	2	120.0075	0.172	2	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	120.6095	0.928	2	120.4573	10.332	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	120.4525	3.350	16	120.4573	10.332	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	120.3440	5.196	2	120.4573	10.332	20	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	120.4855	3.235	2	120.2683	9.983	6	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	120.1598	3.620	4	120.2683	9.983	6	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	124.1570	0.000	1	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.5085	6.369	2	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.4050	3.731	2	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.2722	4.064	8	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.4730	3.736	8	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.3287	3.317	36	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.1910	5.812	2	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	119.8635	0.011	2	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	117.1582	2.283	9	119.9759	11.964	70	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	117.5720	0.000	1	117.5720	0.000	1	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	111.9510	0.144	2	112.5138	0.645	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	113.0765	0.804	2	112.5138	0.645	4	120.2654	9.164	261	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	123.7410	0.000	1	123.7410	0.000	1	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	119.8120	0.000	1	119.8120	0.000	1	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	121.2950	0.000	2	121.2950	0.000	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	119.3200	0.000	1	119.3200	0.000	1	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	120.8035	0.541	2	120.8035	0.293	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	118.8253	3.466	6	118.8253	12.015	6	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.2525	1.925	4	120.2525	3.707	4	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	119.9910	6.846	2	119.9910	46.871	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	118.8470	0.602	2	118.8470	0.363	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	119.1975	0.540	2	119.4284	0.739	10	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	118.9205	0.924	4	119.4284	0.739	10	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	120.0517	0.607	4	119.4284	0.739	10	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	120.0840	2.257	2	120.0840	5.094	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	119.3770	0.511	2	119.3770	0.261	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	121.1877	3.994	6	121.0815	11.552	12	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	122.8310	0.578	2	121.0815	11.552	12	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	119.9045	1.630	2	121.0815	11.552	12	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	120.1905	5.812	2	121.0815	11.552	12	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	119.6098	2.088	4	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	115.9670	0.000	1	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.9550	1.554	2	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.3598	2.510	8	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.0027	2.412	4	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.5822	3.098	6	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.1505	2.148	48	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.7780	5.462	2	120.1530	5.324	75	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	120.0412	3.210	6	120.0412	10.305	6	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	120.1240	0.143	2	120.1240	0.020	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	120.3835	3.842	2	120.5965	10.340	8	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	120.8055	4.369	2	120.5965	10.340	8	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	120.6485	4.666	2	120.5965	10.340	8	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	120.5485	4.071	2	120.5965	10.340	8	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	124.1350	0.000	1	124.1350	0.000	1	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	116.2305	0.127	2	116.2305	0.016	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	119.8710	1.578	4	119.8710	2.492	4	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.1955	0.388	2	118.1955	0.151	2	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<8>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	116.8690	0.000	1	116.8690	0.000	1	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|O<2>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	117.3445	0.740	4	117.3445	0.547	4	120.0023	6.147	152	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]N)(H)	121.2175	0.493	2	121.2175	0.243	2	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]H)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BBN)(H)	120.6649	2.147	15	120.6649	4.611	15	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]H)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]C)(H)	120.7600	1.947	2	120.7600	3.792	2	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]H)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(BNN)(H)	120.6308	1.000	6	120.6308	0.999	6	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]H)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BOsN)(H)	120.9401	1.500	15	120.9401	2.251	15	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]H)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BPtN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BPtN)(H)	120.9035	2.053	2	120.9035	4.214	2	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BOsN)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Os<5>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(BOsN)(H)	122.5939	0.576	8	122.5939	0.332	8	121.0875	2.742	50	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(Cl)	118.9980	0.000	1	118.9980	0.000	1	119.4796	0.207	5	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]H)2(NClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C[6a](C[6a]C[6a]H)2(NClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	119.6000	0.424	4	119.6000	0.180	4	119.4796	0.207	5	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	120.3045	0.016	2	120.3045	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.1250	0.000	1	117.0550	0.010	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	116.9850	0.000	1	117.0550	0.010	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]O)(H)	116.9350	0.000	1	116.9350	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	125.1610	0.000	1	125.1610	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.6830	2.466	6	118.6830	6.083	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.5020	0.000	1	118.7480	3.105	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	119.9940	0.000	1	118.7480	3.105	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCH)(H)	116.7030	0.000	1	116.7030	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]C)(H)	116.9230	0.000	1	116.9230	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1370	0.000	1	117.1370	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	116.2740	0.000	1	116.2740	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	119.1910	2.761	5	119.1910	7.620	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|S<2>}	N(C[6a]C[6a]2)(CNO)(H)	120.7695	0.623	2	120.7695	0.388	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)(H)	115.8645	0.135	6	115.8645	0.018	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.6380	0.000	1	118.4340	10.036	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.5750	0.000	1	118.4340	10.036	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	115.6847	0.592	3	118.4340	10.036	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.3370	0.000	1	118.4340	10.036	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.9640	0.000	1	121.9640	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.5065	0.325	2	120.9315	2.226	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.0670	0.000	1	120.9315	2.226	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6460	0.000	1	120.9315	2.226	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.5425	0.268	2	122.5425	0.072	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.9043	3.813	3	120.9043	14.542	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.8995	0.808	6	122.8995	0.652	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.0210	0.000	1	123.9630	0.007	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.9050	0.000	1	123.9630	0.007	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4245	3.262	2	119.4245	10.640	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	123.3060	0.000	1	123.3060	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4690	0.000	1	121.4690	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.4117	0.742	3	121.4117	0.551	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.2503	0.923	3	118.2503	0.852	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CNN)(H)	117.1300	0.918	2	117.1300	0.842	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	115.7630	0.000	1	115.7630	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	119.3770	0.000	1	121.0622	0.882	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.3992	0.501	5	121.0622	0.882	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	117.2290	0.000	1	117.2290	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)(H)	125.4280	0.000	1	125.4280	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.3992	3.695	4	118.0722	8.845	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	117.1605	0.791	2	118.0722	8.845	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.2010	0.480	4	118.0722	8.845	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.6450	0.450	2	120.6450	0.202	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0187	3.950	3	118.3472	10.598	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4825	4.187	2	118.3472	10.598	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.2902	0.614	5	118.3472	10.598	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	117.4625	3.180	2	117.4625	10.112	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	115.7560	0.000	1	117.2264	0.764	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.5940	0.343	4	117.2264	0.764	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.3510	0.000	1	122.3510	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.6620	0.000	1	121.6620	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.6050	0.000	1	121.6050	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	122.8740	0.000	1	122.8740	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.8680	0.000	1	121.8680	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)(H)	116.6577	0.513	3	116.6577	0.264	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.3250	0.000	1	120.4348	2.527	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.8580	0.607	4	120.4348	2.527	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.7455	1.821	11	120.4348	2.527	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.0465	2.691	2	121.0465	7.239	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.8160	0.000	1	121.8160	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0570	0.000	1	120.1994	1.444	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.8280	0.000	1	120.1994	1.444	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6183	0.630	6	120.1994	1.444	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	123.3070	0.000	1	120.9368	11.750	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	120.1467	3.726	3	120.9368	11.750	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	120.9230	0.253	2	121.5866	0.864	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	120.9960	0.000	1	121.5866	0.864	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.4540	0.000	1	121.5866	0.864	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	123.1525	0.426	2	121.5866	0.864	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.2260	0.251	3	121.5866	0.864	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CPS)(H)	119.2480	0.000	1	119.2480	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.3360	0.212	2	121.3360	0.045	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	121.7250	0.000	1	121.7250	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(COO)(H)	122.3710	0.000	1	122.1311	0.275	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	121.9885	0.653	4	122.1311	0.275	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|B<3>,1|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.2965	0.426	2	122.1311	0.275	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.3710	0.000	1	123.3710	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.6890	0.000	1	122.6890	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	122.5270	0.000	1	122.5270	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	121.6170	0.928	4	120.9832	2.110	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.0070	0.000	1	120.9832	2.110	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.4749	1.641	7	120.9832	2.110	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	121.4390	0.000	1	121.4390	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.0610	0.000	1	122.0610	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	122.0410	0.000	1	122.0410	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.6151	1.801	7	121.6151	3.242	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CNS)(H)	121.8270	0.000	1	120.6627	1.906	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.2018	1.389	5	120.6627	1.906	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	121.8030	0.000	1	120.6627	1.906	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.3200	0.000	1	122.3200	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7920	0.000	1	122.7920	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	115.9210	0.000	1	115.9210	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6855	0.524	2	120.6855	0.275	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	117.2160	0.000	1	117.2160	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.5710	0.000	1	122.5087	0.118	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.6085	0.513	2	122.5087	0.118	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.2470	0.000	1	122.5087	0.118	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	121.6350	0.000	1	121.6350	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.7473	0.817	3	121.7473	0.667	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.5700	0.000	1	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.8920	0.000	1	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.8765	0.825	2	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.3640	0.000	1	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7400	0.000	1	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.3740	0.000	1	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0915	0.142	2	120.6529	6.580	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.1945	0.614	2	120.1945	0.378	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.3310	0.000	1	118.1941	0.284	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	118.3020	0.453	8	118.1941	0.284	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	117.6370	0.000	1	117.6370	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0910	0.000	1	121.0910	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	122.4935	0.879	2	122.4935	0.773	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9960	0.000	1	118.9960	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.3310	0.000	1	118.9588	3.906	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.9980	2.258	4	118.9588	3.906	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	117.4300	0.000	1	118.9588	3.906	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	120.9930	0.000	1	121.6837	0.812	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(CCH)(H)	122.7030	0.000	1	121.6837	0.812	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCH)(H)	121.3550	0.000	1	121.6837	0.812	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCN)(H)	121.4375	0.210	2	121.4375	0.044	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.0383	0.460	3	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.7750	0.222	2	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.2670	0.859	10	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	120.0333	0.827	3	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.6210	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	123.3985	0.820	2	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.0449	0.807	7	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.5260	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1840	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.5693	1.951	28	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.2357	0.750	4	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	120.1531	1.418	7	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.5080	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.9690	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.2153	0.220	3	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.6847	1.328	98	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.8110	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.4270	0.055	2	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7460	0.000	1	121.3265	2.598	176	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[3]O)(H)	119.2261	1.164	9	119.2261	1.355	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[4]O)(H)	122.7900	0.929	2	122.7900	0.863	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	119.9470	0.000	1	119.9470	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	117.0855	0.564	2	119.9676	6.893	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.0200	0.000	1	119.9676	6.893	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.3315	2.883	2	119.9676	6.893	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	116.9460	0.000	1	119.9676	6.893	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.4679	2.640	18	119.9676	6.893	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]S)(H)	116.2430	0.000	1	116.2430	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.8030	0.000	1	119.3922	3.193	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.2507	0.684	3	119.3922	3.193	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.3990	2.664	2	119.3922	3.193	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.1970	0.681	3	121.1439	0.237	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.2170	0.403	3	121.1439	0.237	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.7650	0.000	1	121.1439	0.237	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.9980	0.000	1	121.4950	0.456	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.5944	0.704	5	121.4950	0.456	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	116.5842	1.465	4	116.5842	2.146	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.0360	0.000	1	121.3160	3.277	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	122.5960	0.000	1	121.3160	3.277	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	120.3173	0.625	7	120.7424	0.591	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	121.1800	0.765	2	120.7424	0.591	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	121.1624	0.745	5	120.7424	0.591	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	117.5220	0.000	1	117.5220	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.4710	0.000	1	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.7268	1.243	5	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7585	1.377	13	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3800	2.520	3	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.5865	1.917	35	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3713	0.260	3	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3943	1.788	3	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1390	0.362	2	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2742	0.207	4	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.9323	1.573	84	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2270	0.858	2	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.9297	0.295	3	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.1290	0.632	2	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.5020	0.000	1	121.3765	3.687	161	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHN)(H)	117.1055	0.047	2	117.1055	0.002	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CHO)(H)	120.7970	0.000	1	120.6513	0.702	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHO)(H)	120.5785	1.172	2	120.6513	0.702	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.5369	1.356	39	119.5369	1.840	39	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	123.5787	0.946	7	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.2114	0.940	7	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.8194	2.756	5	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	121.8042	0.990	5	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	123.0200	0.000	1	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	121.2413	1.378	6	122.2941	3.038	31	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)(H)	117.7115	0.268	2	117.7115	0.072	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.3942	0.262	4	119.9983	4.245	47	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.8111	1.734	32	119.9983	4.245	47	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNS)(H)	118.3670	0.541	3	119.9983	4.245	47	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	122.6605	1.093	8	119.9983	4.245	47	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	122.3315	1.466	2	122.3315	2.149	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	121.1390	0.000	2	121.1390	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	118.4780	0.000	1	118.4780	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	123.5580	0.000	1	121.3251	2.616	25	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.6553	1.312	7	121.3251	2.616	25	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.9199	1.161	15	121.3251	2.616	25	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.9400	0.000	1	121.3251	2.616	25	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	120.2440	0.000	1	121.3251	2.616	25	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COS)(H)	122.9135	0.199	2	122.0093	2.472	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COS)(H)	120.2010	0.000	1	122.0093	2.472	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	116.9550	0.000	1	120.1255	4.506	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.2520	0.000	1	120.1255	4.506	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.3790	0.000	1	120.1255	4.506	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.9160	0.000	1	120.1255	4.506	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.1590	0.000	1	116.7970	3.710	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	115.4350	0.000	1	116.7970	3.710	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.9630	0.000	1	123.9630	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.8670	0.000	1	120.5480	1.158	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.4920	0.085	2	120.5480	1.158	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.9880	0.000	1	120.5480	1.158	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.2245	0.319	2	120.5480	1.158	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.6550	1.170	2	121.6550	1.368	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.2400	0.000	1	118.2400	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.5220	1.349	2	119.5220	1.820	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.0210	0.000	1	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.4145	0.317	2	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2737	1.260	3	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.5803	0.219	3	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.3130	0.000	1	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1390	0.000	1	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	116.1743	0.107	3	118.8134	3.688	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5090	0.000	1	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.3803	0.606	20	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0845	0.523	2	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.3500	1.045	2	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.5100	0.000	1	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7320	0.000	1	121.9343	1.372	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CHO)(H)	122.3880	0.000	1	122.3880	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.9190	0.000	1	121.5583	0.584	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	121.9045	0.046	2	121.5583	0.584	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.7785	1.037	2	121.5583	0.584	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.0650	0.000	1	121.5583	0.584	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.1240	0.113	2	116.7012	0.195	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.7550	0.000	1	116.7012	0.195	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.2515	0.046	2	116.7012	0.195	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.3190	0.000	1	118.1380	0.066	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9570	0.000	1	118.1380	0.066	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.6450	0.000	1	121.3690	1.048	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	122.0930	0.000	1	121.3690	1.048	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.4620	0.000	1	121.4620	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	123.5220	0.000	1	123.5220	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0624	1.204	5	121.3618	2.615	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.6612	2.052	5	121.3618	2.615	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[3]O)(H)	123.7850	0.000	1	123.7850	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.4390	0.000	1	123.4390	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.9145	0.144	2	123.9145	0.021	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	124.9370	0.000	1	122.9985	7.516	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	121.0600	0.000	1	122.9985	7.516	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.6010	0.000	1	123.6010	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	122.6890	0.000	1	122.6890	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCH)(H)	123.7480	0.000	1	123.5210	0.103	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCH)(H)	123.2940	0.000	1	123.5210	0.103	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	121.0960	0.000	1	121.8212	0.996	28	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.8424	0.827	17	121.8212	0.996	28	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.5000	0.000	1	121.8212	0.996	28	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.9247	0.886	3	121.8212	0.996	28	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0503	0.872	6	121.8212	0.996	28	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	121.8000	0.000	1	121.8000	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	122.2750	0.000	1	122.2750	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	123.7917	0.596	3	123.7917	0.356	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.1160	0.000	1	123.1160	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	123.6926	0.618	5	123.6926	0.382	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	122.0350	0.000	1	122.0350	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	122.9590	0.000	1	122.9590	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.7260	0.000	1	122.7328	1.843	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.1282	1.572	12	122.7328	1.843	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.9471	0.539	7	122.7328	1.843	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.6737	0.701	4	122.7328	1.843	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0650	0.488	3	122.7328	1.843	27	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	122.4950	0.000	1	122.0490	0.398	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CNN)(H)	121.6030	0.000	1	122.0490	0.398	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	124.4597	0.092	3	124.4597	0.008	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.1033	1.701	14	121.6147	3.546	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	124.6645	0.882	2	121.6147	3.546	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	122.5570	2.128	2	121.6147	3.546	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.2025	0.260	2	121.6147	3.546	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7510	0.000	1	120.7510	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.0160	0.000	1	123.0160	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	125.1905	0.383	2	125.1905	0.146	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.6660	0.358	2	124.7525	0.064	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.8390	0.185	2	124.7525	0.064	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	125.8128	2.012	4	125.8128	4.050	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.2375	0.103	2	124.2375	0.011	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	124.8653	0.340	3	124.8556	0.177	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCH)(H)	124.8410	0.689	2	124.8556	0.177	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.4945	1.326	6	123.4945	1.758	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	124.0480	0.000	1	124.0480	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	125.7990	0.000	1	125.7990	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	124.7150	0.000	1	124.7150	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7568	2.403	6	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	126.4570	0.602	2	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.9489	1.960	8	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.8320	0.491	2	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.2980	0.000	1	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.5400	0.000	1	124.1274	6.108	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	122.5045	5.823	2	122.5045	33.908	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNO)(H)	125.5030	0.000	1	125.0744	3.443	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	125.9160	0.000	1	125.0744	3.443	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	123.2530	2.444	3	125.0744	3.443	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNO)(H)	126.1230	0.343	4	125.0744	3.443	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	123.3152	3.140	5	123.3152	9.860	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.1290	0.000	1	124.1290	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(H){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	125.2060	0.000	2	125.2060	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.6685	1.364	2	124.6685	1.861	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CNO)(H)	126.7890	0.000	1	126.7890	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0420	1.073	4	121.1460	0.918	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.5620	0.000	1	121.1460	0.918	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.6080	0.000	1	121.6080	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6301	1.346	12	120.7219	1.770	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.8240	0.000	1	120.7219	1.770	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.9770	0.399	2	119.9770	0.159	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.8260	0.000	1	118.8260	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	122.0080	0.000	1	122.0080	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	120.6930	1.461	2	120.6930	2.134	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Br<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0250	0.000	1	120.0250	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<3>,4|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.8730	1.479	2	119.8730	2.188	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.5750	0.000	1	116.5750	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	119.3880	0.000	1	117.2750	8.930	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	115.1620	0.000	1	117.2750	8.930	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.6198	0.960	4	119.6198	0.921	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.6220	0.000	1	122.6220	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1333	2.753	4	120.1333	7.580	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CCC)(H)	123.9210	1.710	2	121.7800	15.213	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	117.4980	0.000	1	121.7800	15.213	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.2833	1.777	3	119.2833	3.159	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	121.6430	0.000	1	121.6430	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.2745	2.333	4	120.2745	5.442	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	123.2430	0.000	1	123.2430	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	121.7490	0.000	1	121.7490	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.1570	0.000	1	122.1570	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	122.4055	0.233	2	122.4055	0.054	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	122.6150	0.000	1	118.5655	10.542	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCC)(H)	123.3247	0.623	4	118.5655	10.542	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	117.1519	2.025	14	118.5655	10.542	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	115.2680	0.000	1	118.5655	10.542	20	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCH)(H)	122.5153	0.797	6	122.5153	0.635	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.6250	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.3070	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.7307	0.806	3	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.8670	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.7439	3.509	13	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.5607	2.163	51	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.8540	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.0930	1.817	3	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.2310	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.1070	0.000	1	120.5491	5.522	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCS)(H)	118.0070	0.000	1	118.0070	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	121.6210	0.000	1	121.6210	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]C)(H)	120.5470	0.000	1	120.5470	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.1467	1.476	3	118.1467	2.180	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	116.2340	0.000	1	116.2340	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.0173	0.150	4	121.4413	4.368	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.6032	1.784	13	121.4413	4.368	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.0320	0.000	1	121.4413	4.368	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]C)(H)	116.6015	3.426	2	116.6015	11.737	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.0757	0.481	6	122.7883	0.771	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.0640	0.000	1	122.7883	0.771	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.5309	2.491	10	119.6430	5.725	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.7640	0.000	1	119.6430	5.725	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	116.3090	0.000	1	119.5390	20.866	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	122.7690	0.000	1	119.5390	20.866	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	122.7790	0.000	1	122.7790	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	116.6970	0.079	2	116.6970	0.006	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.7940	0.000	1	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.8222	0.781	5	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.2139	2.105	125	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7290	0.133	2	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.8960	0.057	2	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1780	0.322	4	120.3065	4.110	139	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHO)(H)	120.5260	1.068	2	120.5260	1.140	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)(CNN)(H)	118.0240	0.000	1	118.0240	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	121.6705	1.529	130	121.6705	2.337	130	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNS)(H)	124.5785	2.125	8	121.3537	6.031	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	121.0109	2.208	67	121.3537	6.031	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	118.5210	0.000	1	121.3537	6.031	76	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	121.9868	1.814	4	122.0500	2.487	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	122.3030	0.000	1	122.0500	2.487	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	121.8717	2.487	6	121.8717	6.187	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.9190	0.000	1	120.9190	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	114.5920	0.000	1	114.5920	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.7390	0.000	1	120.0429	3.422	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.5843	0.797	3	120.0429	3.422	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	122.7840	0.000	1	120.0429	3.422	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.7775	1.900	4	120.0429	3.422	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.4840	0.000	1	123.4840	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.3150	0.000	1	122.3150	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	121.5882	1.055	4	121.5882	1.112	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	116.0385	0.363	2	120.8162	13.989	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.2050	0.667	4	120.8162	13.989	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	123.3100	0.000	1	123.3100	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	118.9350	0.000	1	118.0465	0.963	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	117.7503	0.958	3	118.0465	0.963	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.3303	3.176	6	123.6051	6.512	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.1547	0.396	3	123.6051	6.512	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	125.3260	0.000	1	125.3260	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.0295	2.887	11	122.0295	8.337	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	124.6860	0.000	1	124.6860	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.2320	0.000	1	125.4900	0.631	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.8570	0.000	1	125.4900	0.631	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	126.3810	0.000	1	125.4900	0.631	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHO)(H)	123.7010	0.000	1	123.7010	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	125.4980	0.000	1	125.4980	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	122.7870	0.000	1	122.7870	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.7955	0.897	2	123.7955	0.805	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.1177	3.808	3	121.1177	14.501	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.0395	0.401	2	125.0395	0.161	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	125.3200	1.782	4	125.3200	3.176	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	123.9470	0.000	1	123.9470	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)(H)	125.7874	0.356	5	125.7874	0.127	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.9750	0.000	1	123.6166	3.930	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.9187	3.311	4	123.6166	3.930	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	118.1350	0.000	1	123.6166	3.930	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.9125	1.419	30	123.6166	3.930	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	125.6560	0.000	1	123.6166	3.930	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[3]O)(H)	125.0750	0.000	1	125.0750	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]H)(H)	123.7750	0.000	1	123.7750	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.8907	0.560	3	124.8907	0.314	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]C)(H)	121.0650	0.000	2	121.0650	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	124.5650	0.000	1	122.8163	2.781	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.6959	1.687	22	122.8163	2.781	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.7150	0.000	1	122.8163	2.781	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]O)(H)	125.0600	0.703	2	125.0600	0.494	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	124.6120	0.000	1	124.6120	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	123.0049	0.654	13	123.0049	0.428	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.0040	0.160	2	124.3456	1.372	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.9714	1.383	28	124.3456	1.372	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.5600	0.000	1	124.3456	1.372	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.1367	0.625	6	124.3456	1.372	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.7361	0.710	21	124.3456	1.372	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHO)(H)	123.8730	0.130	2	123.8730	0.017	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNN)(H)	122.9415	1.872	30	122.9415	3.503	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	121.3859	3.904	9	121.3859	15.241	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	124.7353	2.211	15	125.0563	4.580	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	126.7890	0.225	2	125.0563	4.580	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	126.4060	0.000	1	125.0563	4.580	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[5]S)(H)	127.2400	0.000	1	127.2400	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	124.5255	0.423	4	124.5255	0.179	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	124.8060	0.000	1	124.8060	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	123.1760	0.000	1	123.1760	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.3852	0.472	4	123.3852	0.223	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.5340	0.122	2	124.1065	0.653	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.9640	0.902	6	124.1065	0.653	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	123.7643	0.645	3	123.7643	0.416	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	125.3980	0.000	1	125.3980	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	125.1440	0.000	1	125.1440	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.0225	1.254	2	122.6792	6.711	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	122.0075	2.976	4	122.6792	6.711	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.5330	1.031	2	123.5330	1.063	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.2470	0.000	1	123.7993	1.755	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.6184	1.292	8	123.7993	1.755	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	124.9738	0.685	6	124.9738	0.469	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CCN)(H)	121.5070	0.000	1	122.0772	1.277	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CCN)(H)	122.2673	1.304	3	122.0772	1.277	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.7210	0.000	1	119.7210	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.3620	0.000	1	122.3620	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0670	0.000	1	122.0670	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CNN)(H)	118.2660	0.000	1	118.2660	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CPdN)(H)	117.3725	0.521	2	117.3725	0.272	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	118.8090	0.000	1	118.8090	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCO)(H)	117.9560	0.000	1	117.9560	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCC)(H)	121.8440	0.000	1	121.8440	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.0105	0.247	2	120.7599	4.760	59	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	122.6648	1.097	6	120.7599	4.760	59	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	119.8459	2.675	26	120.7599	4.760	59	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.7380	0.000	1	120.7599	4.760	59	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCO)(H)	121.0871	1.233	24	120.7599	4.760	59	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[3]O)(H)	119.0060	2.045	3	119.0060	4.182	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[4]O)(H)	119.0835	0.299	2	119.0835	0.089	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.3738	1.512	4	121.2634	1.973	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.8192	1.149	10	121.2634	1.973	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.6485	0.172	2	122.6485	0.030	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[5x4]O)(H)	121.9060	0.000	1	121.9060	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.8660	0.000	1	120.8660	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.5990	0.000	1	120.5420	7.550	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6]O)(H)	122.4850	0.000	1	120.5420	7.550	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	120.8370	0.310	3	120.8370	0.096	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0737	1.217	11	121.8489	1.651	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7634	0.764	5	121.8489	1.651	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.3260	0.331	2	121.8489	1.651	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNO)(H)	121.2940	0.000	1	122.7718	0.978	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNO)(H)	123.1412	0.627	4	122.7718	0.978	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNS)(H)	124.1270	0.000	1	124.1270	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	119.2710	0.000	1	119.2710	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(COO)(H)	123.3970	0.000	1	122.2985	2.413	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(COO)(H)	121.2000	0.000	1	122.2985	2.413	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.3900	0.000	1	124.3900	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNO)(H)	121.3475	0.483	2	121.3475	0.233	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.8715	5.863	2	121.8715	34.370	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.7560	0.000	1	120.9443	9.896	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7280	3.164	13	120.9443	9.896	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	125.6500	0.000	1	120.6777	18.615	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.1915	0.380	2	120.6777	18.615	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.2488	0.701	4	124.2488	0.492	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.3400	0.000	1	121.1565	7.969	26	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1492	2.881	25	121.1565	7.969	26	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNO)(H)	126.0950	2.428	2	121.9487	13.032	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.7795	3.565	49	121.9487	13.032	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	122.1754	1.179	5	122.1754	1.391	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	126.1360	0.000	1	126.1360	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.2529	2.208	10	120.2529	4.877	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4580	0.000	1	118.4580	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(CCO)(H)	126.5840	0.364	3	126.5840	0.133	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	127.3450	0.082	2	127.3450	0.007	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|O<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	125.9000	0.000	1	125.9000	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(COO)(H)	115.9640	0.000	1	115.9640	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|S<2>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	115.8455	0.050	2	115.8455	0.003	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9790	0.000	1	117.9790	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	123.1770	0.000	1	123.1770	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.8160	0.000	1	120.8160	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.6420	0.000	1	116.6420	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	116.9960	0.000	1	116.9960	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	117.2070	0.530	2	117.2070	0.281	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	124.4070	0.000	1	124.4070	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.3790	0.349	4	122.1423	6.634	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	119.6690	3.801	2	122.1423	6.634	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.4275	4.368	2	119.4275	19.078	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.0400	0.000	1	119.0400	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3523	3.142	12	120.3523	9.869	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	117.2000	0.000	1	117.2000	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	122.8690	0.000	1	122.8690	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.5477	2.965	3	119.9274	9.980	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.4970	4.610	2	119.9274	9.980	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	115.8332	1.907	4	115.8332	3.637	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	116.8830	0.000	1	118.6250	11.750	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.4960	4.353	2	118.6250	11.750	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.3443	1.381	3	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.6843	2.929	3	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1405	3.098	11	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1928	2.928	12	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.4698	4.154	4	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0107	3.021	12	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2198	1.812	6	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	119.2430	0.000	1	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.0668	0.483	5	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	119.8390	3.444	2	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0359	3.887	30	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.8000	0.000	1	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	118.8330	2.871	3	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8933	2.457	12	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1199	3.547	8	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.8780	2.595	6	119.8223	9.485	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	121.4300	0.000	1	121.4300	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	123.6070	0.948	2	123.6070	0.898	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)(H)	117.9840	0.000	1	117.9840	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	116.6640	0.187	2	116.6640	0.035	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	123.0590	0.071	2	119.9552	9.579	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.5690	0.809	2	119.9552	9.579	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.2375	3.944	2	119.9552	9.579	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	116.3125	0.019	2	118.9390	12.556	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	123.2030	0.000	1	118.9390	12.556	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.2687	3.903	3	118.9390	12.556	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	122.3880	0.438	2	122.3880	0.192	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4663	0.109	15	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.8120	0.000	1	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3490	3.036	3	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.9621	2.769	15	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.6250	0.000	1	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.0245	0.351	2	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1418	4.659	4	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.0055	3.977	4	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1491	2.830	8	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4650	0.290	2	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7166	2.825	5	119.6542	8.153	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.0075	3.657	6	120.4139	12.298	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	122.8520	0.000	1	120.4139	12.298	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.6065	3.325	19	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.7403	3.221	15	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.5945	0.726	4	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	120.7775	5.426	2	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3923	3.153	20	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	121.0781	2.830	8	120.2358	9.868	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	123.3700	0.618	2	120.3218	13.543	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	116.8940	0.431	2	120.3218	13.543	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.3788	3.803	9	120.3218	13.543	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.3283	3.744	38	120.3218	13.543	51	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	120.1218	2.763	10	120.1218	7.635	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	120.6340	0.000	1	120.6340	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	122.5330	0.540	2	122.5330	0.292	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	118.6430	0.000	1	118.6430	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	121.0470	4.916	2	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.9890	0.349	2	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	116.9170	0.000	1	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.8427	2.752	4	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	116.2170	0.000	1	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.8495	2.955	6	120.2296	9.233	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	124.1337	0.873	3	124.1337	0.762	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.4100	0.000	1	121.4100	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.2250	0.000	1	123.2250	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.5115	3.481	2	119.5115	12.118	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.8240	1.517	2	116.8240	2.303	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	117.5415	0.087	2	119.1167	11.600	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)(H)	117.1660	0.000	1	119.1167	11.600	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	124.2180	0.000	1	119.1167	11.600	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.1330	2.065	3	120.4334	8.636	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.4112	2.632	5	120.4334	8.636	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.9454	2.843	22	120.4334	8.636	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7883	3.176	7	120.4334	8.636	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9967	3.057	20	120.4334	8.636	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	119.8305	2.785	2	119.8305	7.758	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.6540	4.343	2	119.6540	18.862	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	116.4780	0.000	1	116.4780	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	116.2050	0.000	1	116.2050	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1616	2.411	16	120.1826	5.398	21	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.5940	0.000	1	120.1826	5.398	21	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6635	2.152	4	120.1826	5.398	21	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	120.0175	1.914	2	120.0175	3.664	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	119.8390	3.222	2	119.8390	10.379	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.7775	3.043	2	119.7775	9.258	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.5570	0.000	1	121.2692	10.684	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.8660	0.000	1	121.2692	10.684	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.7330	3.099	10	121.2692	10.684	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	119.8888	4.354	4	121.2692	10.684	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.3740	0.000	1	120.2093	8.334	19	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.8576	2.154	8	120.2093	8.334	19	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.8105	3.595	8	120.2093	8.334	19	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.6285	4.586	2	120.2093	8.334	19	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.5090	0.000	1	120.3672	14.538	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.3200	4.045	3	120.3672	14.538	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	122.8320	0.000	1	122.8320	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.8210	1.909	2	121.4978	6.932	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.6834	3.197	5	121.4978	6.932	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CCO)(H)	123.0110	0.000	1	121.4978	6.932	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.2260	0.520	4	121.4978	6.932	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	119.5983	3.198	4	119.5983	10.230	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.0440	0.000	1	117.0440	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	120.3005	3.987	2	120.3005	15.899	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1808	2.384	4	121.1133	4.880	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7794	1.553	8	121.1133	4.880	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.7138	3.047	4	121.1133	4.880	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	119.9240	4.376	2	119.9240	19.146	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.4343	2.851	3	120.7861	8.998	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3000	3.441	4	120.7861	8.998	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	123.0130	1.204	3	123.0130	1.450	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	123.9090	0.000	1	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	115.9620	0.000	1	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	119.3813	1.064	3	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	118.9740	0.000	1	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	121.0735	5.381	6	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.4569	3.367	8	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.1889	2.886	8	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	120.3550	3.052	2	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCC)(H)	120.3275	1.894	16	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.1942	2.844	8	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.1962	2.216	10	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	120.2302	3.069	4	120.2792	7.718	68	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	123.5720	0.000	1	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	118.0200	0.000	1	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	123.3390	0.000	1	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.5230	3.202	4	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	120.2490	1.938	4	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	120.2800	2.491	6	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	120.3168	2.676	16	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.9711	3.219	16	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	120.2690	2.168	6	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCH)(H)	120.2925	4.127	2	120.2194	7.240	57	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	119.6890	0.573	2	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.6793	1.823	6	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.5828	2.643	4	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCN)(H)	120.1766	3.758	5	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)(H)	120.3335	0.407	2	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.0134	2.365	32	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	122.6045	0.360	2	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCN)(H)	123.7780	0.000	1	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	116.6850	0.000	1	120.2443	5.709	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.9810	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.5240	0.511	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.1192	0.363	4	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.5973	0.689	3	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5540	2.835	3	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2450	3.022	11	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.8101	3.175	12	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.6303	4.441	4	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9680	3.003	12	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.8958	1.883	6	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.5985	1.493	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.3480	3.064	5	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CCO)(H)	118.1640	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.3645	0.179	4	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.6330	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	118.5830	1.633	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.7604	2.972	30	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5355	3.778	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	115.2990	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	125.1590	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.5832	2.966	10	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.2073	3.846	4	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.4603	2.900	56	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0339	2.656	10	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.4804	3.057	78	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2556	2.920	56	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1493	2.122	16	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.3431	3.281	14	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.2493	2.919	72	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCO)(H)	120.4365	5.527	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.4767	3.083	264	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.4868	3.387	6	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCO)(H)	120.2753	3.126	150	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1759	2.960	282	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.3590	3.092	84	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.2677	3.328	72	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.4467	1.988	3	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.7876	2.569	5	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1144	3.173	22	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0912	3.107	6	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.6280	0.000	1	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.0805	2.238	4	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.3248	2.607	13	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.4865	0.158	2	120.2582	9.170	1339	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	117.6930	0.000	1	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	118.0980	0.000	1	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	120.2611	1.684	8	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	119.4730	1.239	2	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCS)(H)	119.5570	0.321	2	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCS)(H)	119.8225	1.211	2	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	119.9662	2.666	39	119.8957	5.610	55	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3,5]O)(H)	120.2195	3.403	2	120.2195	11.582	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	119.6893	3.395	4	120.0079	4.727	42	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	120.0349	2.126	36	120.0079	4.727	42	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[3]O)(H)	120.1590	0.724	2	120.0079	4.727	42	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	120.6115	4.437	2	119.0840	9.819	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	117.5565	0.661	2	119.0840	9.819	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[4]O)(H)	120.4675	2.139	2	120.6687	5.718	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[4]O)(H)	121.0765	2.132	2	120.6687	5.718	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[4]O)(H)	120.4620	4.356	2	120.6687	5.718	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	120.9650	3.732	2	120.4004	9.240	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	120.4300	3.103	2	120.4004	9.240	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	120.1033	3.657	4	120.4004	9.240	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]C)(H)	120.8560	2.212	2	120.0239	3.930	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]C)(H)	119.8711	1.760	14	120.0239	3.930	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]C)(H)	120.2615	4.453	2	120.0239	3.930	18	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	116.9400	0.000	1	119.8324	6.568	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	120.1707	2.630	4	119.8324	6.568	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	120.0888	2.673	6	119.8324	6.568	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.0480	4.149	2	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	116.0780	0.710	9	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.3708	2.969	24	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.3577	3.855	4	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.0310	3.573	4	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.2867	3.721	16	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.3031	2.330	14	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.1396	3.032	87	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.5105	4.092	4	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.6310	4.634	2	120.0092	9.684	166	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]S)(H)	120.1100	4.687	2	120.1100	21.965	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)(H)	120.1930	3.083	2	120.1930	9.505	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	119.6425	3.837	2	119.6425	14.726	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)(H)	120.5720	3.394	2	120.5665	7.109	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)(H)	120.2968	2.787	8	120.5665	7.109	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]H)(H)	122.7140	0.000	1	120.5665	7.109	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N)(H)	120.3765	6.704	2	120.3765	44.945	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.0875	0.091	2	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.0602	3.370	4	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.7830	0.000	1	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	123.3120	0.028	2	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	116.9020	0.000	1	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.1560	4.022	2	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.8175	2.941	20	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.3432	3.596	4	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.0480	3.424	2	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.8080	3.140	6	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.1804	2.656	42	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.4988	3.768	4	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	124.5690	0.000	1	120.5917	8.062	91	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]S)(H)	119.6422	3.459	14	119.6422	11.965	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6,6]O)(H)	120.1955	5.177	2	120.1955	26.799	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	120.6640	0.000	1	120.0312	5.747	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	119.9770	2.563	2	120.0312	5.747	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]C)(H)	120.0568	2.995	6	120.0312	5.747	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	119.6735	3.560	2	120.0312	5.747	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	120.0500	2.053	2	120.0312	5.747	13	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.6350	0.331	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.6300	0.000	1	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.2700	2.621	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.7030	0.000	1	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.0080	0.000	1	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.1655	3.494	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.1502	2.673	20	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.2485	5.693	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.9821	2.821	10	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.4083	2.875	34	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.9989	2.638	20	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.5115	2.387	8	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	119.7655	2.749	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.1826	2.703	10	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.5525	0.286	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.5925	4.065	2	120.1294	7.297	119	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]N)(H)	119.7033	1.690	6	119.7033	2.857	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.2430	0.000	1	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	124.9250	0.526	2	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	117.2380	0.000	1	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.8107	4.535	3	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.4453	3.319	12	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.8457	3.199	4	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.5473	3.766	6	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.4432	3.446	6	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.8118	3.138	4	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.9210	3.028	4	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.2240	2.937	36	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	120.4528	3.359	6	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.9032	3.287	4	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	124.0260	0.000	1	120.3754	9.458	90	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)(H)	120.5555	8.479	2	120.4643	8.159	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)(H)	119.7045	2.876	2	120.4643	8.159	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]S)(H)	119.7195	1.364	2	120.4643	8.159	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)(H)	120.5555	2.641	31	120.4643	8.159	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	122.2795	0.043	2	120.4125	2.918	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	119.8920	1.430	2	120.4125	2.918	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	120.4120	2.503	2	120.4125	2.918	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	120.3022	1.964	6	120.4125	2.918	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	119.9050	1.587	4	120.4125	2.918	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	122.4980	0.000	1	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	122.4470	0.000	1	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.2974	2.606	8	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.3780	3.940	2	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.2182	0.517	4	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.0060	3.310	4	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.2055	2.278	2	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.0110	4.917	2	120.3921	5.909	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	119.3940	2.514	2	119.9090	2.492	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	120.4240	0.305	2	119.9090	2.492	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]Fe)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Fe)(H)	120.2760	3.114	2	120.2760	9.698	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	120.0640	2.571	4	119.4660	3.729	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	119.4922	1.224	4	119.4660	3.729	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	119.7385	2.263	4	119.4660	3.729	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.6725	0.798	2	119.4660	3.729	14	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	120.5319	3.725	8	120.1454	6.910	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	120.5905	5.598	2	120.1454	6.910	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	120.0657	2.379	50	120.1454	6.910	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4304	3.306	12	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0708	0.057	15	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.0480	0.000	1	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4723	3.323	3	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.5430	2.080	2	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9576	2.969	16	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.8690	0.000	1	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.0208	2.917	4	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.2391	1.696	8	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4039	3.024	8	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9080	0.000	1	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.6160	0.000	1	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4420	2.778	9	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2915	3.009	11	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.6497	0.418	3	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.9517	0.239	3	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1269	2.762	34	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3279	3.124	42	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3853	2.772	94	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.2397	2.889	61	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1283	2.808	26	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4373	3.179	68	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4304	3.106	68	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4480	0.932	4	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.5327	2.976	8	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1979	2.877	12	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1545	2.634	132	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.2885	2.831	56	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3207	3.472	22	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3236	2.663	16	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9580	0.000	1	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.3487	0.303	3	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.6780	2.921	5	120.1994	8.271	750	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.9850	4.756	2	119.7281	7.719	38	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	120.0420	0.416	2	119.7281	7.719	38	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.6938	2.761	25	119.7281	7.719	38	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.9058	2.399	6	119.7281	7.719	38	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.2787	4.992	3	119.7281	7.719	38	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	124.1920	0.000	1	120.4027	7.401	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	120.7550	2.642	2	120.4027	7.401	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	120.1012	2.488	8	120.4027	7.401	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CHN)(H)	119.8605	3.976	2	120.4027	7.401	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	120.1532	3.470	4	120.4027	7.401	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	117.4430	0.000	1	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	120.0880	3.248	4	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	120.3040	1.401	4	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHO)(H)	120.3085	2.618	2	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	120.2819	3.025	14	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	120.2610	4.511	2	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHO)(H)	120.0372	2.711	10	120.1208	7.158	37	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.7390	0.942	4	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.1414	2.229	24	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.0859	0.949	8	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNN)(H)	120.2100	7.057	2	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNN)(H)	120.3483	2.973	10	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CNN)(H)	119.9195	2.515	2	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.1020	2.550	150	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.2630	2.824	4	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	117.6510	0.000	1	120.0818	6.204	205	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.6837	2.648	3	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3391	3.525	19	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.7329	3.244	15	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.5930	0.901	4	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.0590	2.917	3	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.3858	1.037	5	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.5450	3.457	31	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.6963	2.712	3	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	116.8090	0.059	2	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.8930	0.724	3	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.2655	3.870	6	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3492	4.065	4	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3492	2.898	31	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.4280	3.470	48	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.5584	3.173	101	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3175	2.860	48	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.4733	3.020	22	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	120.5670	3.824	278	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CNO)(H)	120.7220	3.846	4	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	120.4652	2.564	38	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CNO)(H)	120.3007	3.873	4	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<6>}	N(C[6a]C[6a]2)(CNO)(H)	120.5565	3.766	4	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.3205	3.132	373	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.5249	3.196	78	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	120.7525	3.481	56	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.7210	0.000	1	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.8990	0.000	1	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.7653	3.202	10	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	119.8222	2.794	8	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	115.9690	0.000	1	120.4093	10.965	1204	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	123.9177	2.407	4	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	116.4920	0.396	2	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	123.1845	0.612	2	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.1630	3.774	9	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	116.8507	0.884	3	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.8086	4.357	9	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.9765	1.093	4	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.9280	0.000	1	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	116.9550	1.321	2	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.1279	2.607	10	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.2229	4.416	20	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.2526	3.203	46	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.0230	2.376	50	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.2015	4.246	6	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	120.3300	4.224	140	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	120.2287	2.066	48	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNS)(H)	120.1815	3.161	2	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.0447	3.048	525	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.1576	3.360	50	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	120.2673	4.232	18	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.1890	0.000	1	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.1479	1.784	8	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.1683	3.722	8	120.0735	10.674	968	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[4]Mn)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[4]Mn)(H)	119.8050	2.647	2	119.8050	7.009	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	120.3648	3.264	4	120.2870	9.385	22	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	120.4872	3.192	6	120.2870	9.385	22	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	119.9210	3.857	2	120.2870	9.385	22	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	120.2064	3.721	8	120.2870	9.385	22	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	120.2190	1.336	2	120.2870	9.385	22	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CN[5]S)(H)	120.1545	4.850	2	120.2154	21.872	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)(H)	120.2306	4.976	8	120.2154	21.872	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	119.4090	0.000	1	120.3727	15.896	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	120.4691	4.189	10	120.3727	15.896	11	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	121.2740	5.572	2	120.4802	10.890	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	120.2373	3.194	6	120.4802	10.890	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	120.4150	3.784	2	120.4802	10.890	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]S)(H)	119.9930	1.312	2	119.9930	1.722	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6,6]O)(H)	120.3355	3.865	4	120.3355	14.938	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	117.7165	0.701	2	120.2187	5.735	34	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.6700	4.120	2	120.2187	5.735	34	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.5005	1.861	4	120.2187	5.735	34	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.1962	2.506	14	120.2187	5.735	34	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.4928	2.442	12	120.2187	5.735	34	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CN[6]S)(H)	120.2618	1.642	10	120.2985	2.700	23	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[6]S)(H)	120.3155	2.442	2	120.2985	2.700	23	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	120.1919	1.735	10	120.2985	2.700	23	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	121.6980	0.000	1	120.2985	2.700	23	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	120.2205	4.588	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	124.5900	0.000	1	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.7130	0.696	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	123.5800	0.000	1	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.2435	0.480	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.2417	1.243	3	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.4775	4.984	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.3359	2.918	74	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.7740	3.461	22	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.9895	3.879	4	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	120.6710	2.278	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COO)(H)	120.2933	3.360	20	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	120.3735	3.349	26	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(COO)(H)	120.3515	4.166	12	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.1673	2.877	72	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.7115	4.974	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	120.3050	3.841	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.5725	3.600	2	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	122.6750	0.000	1	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1177	4.225	3	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	124.1090	0.000	1	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.5160	2.757	7	120.2744	9.524	263	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	115.9373	0.450	3	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	115.2830	0.000	1	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COS)(H)	120.4318	3.446	8	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(COS)(H)	120.3311	5.453	10	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	120.0489	3.784	26	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COS)(H)	120.3806	4.454	8	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COS)(H)	120.5150	5.132	4	119.9373	17.006	60	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPS)(H)	120.0890	6.718	2	120.0890	45.125	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	121.2360	0.000	1	119.7566	4.438	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	119.5773	2.562	6	119.7566	4.438	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CPdN)(H)	119.5545	0.480	2	119.7566	4.438	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CReC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CReC)(H)	120.2495	1.225	2	120.2495	1.502	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSS)(H)	119.9285	4.073	4	120.0499	13.710	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CSS)(H)	120.1713	3.919	4	120.0499	13.710	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<6>}	N(C[6a]C[6a]2)(CSeN)(H)	119.7605	1.887	2	119.7605	3.562	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.8150	0.000	1	123.8150	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3942	3.040	8	120.6479	8.666	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.6770	0.000	1	120.6479	8.666	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.6590	1.084	5	118.6590	1.175	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.0931	3.891	9	120.0931	15.143	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.1593	1.302	3	120.1665	1.131	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	120.1880	0.000	1	120.1665	1.131	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCH)(H)	119.4025	1.534	2	119.4025	2.352	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.5010	0.000	1	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	115.5360	0.000	1	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9243	3.503	10	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.7353	3.846	4	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5302	3.882	6	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5468	3.398	8	119.6592	12.905	30	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	121.0310	0.000	1	121.0310	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	121.9210	0.000	1	121.9210	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	117.2985	0.023	2	119.1197	9.950	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	122.7620	0.000	1	119.1197	9.950	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	117.4480	0.000	1	117.4480	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.1200	0.000	1	119.5615	11.922	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	122.0030	0.000	1	119.5615	11.922	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	117.1730	0.167	2	117.1730	0.028	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	117.5280	0.000	1	117.1035	0.360	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	116.6790	0.000	1	117.1035	0.360	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3860	3.167	11	120.8039	8.535	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.2807	0.372	3	120.8039	8.535	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3870	1.771	2	120.8039	8.535	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.3112	1.569	6	119.3112	2.461	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.9693	1.975	3	120.0424	10.786	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	123.4675	0.573	2	120.0424	10.786	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.7270	4.476	2	120.0424	10.786	7	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	122.9685	1.819	2	119.7774	3.653	26	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.7511	2.555	10	119.7774	3.653	26	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	119.3404	0.692	14	119.7774	3.653	26	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	119.6735	3.692	2	119.6735	13.629	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	122.0433	1.890	3	122.0433	3.571	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	125.1720	0.000	1	125.1720	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	122.9833	0.656	3	122.9833	0.431	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4177	0.445	3	117.4177	0.198	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.2258	3.607	6	120.2258	13.012	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.3196	3.600	16	121.3196	12.958	16	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	120.9235	5.526	2	120.9235	30.537	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.0442	3.597	6	121.0442	12.937	6	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1635	3.117	58	121.1635	9.717	58	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	121.2135	4.740	2	121.2135	22.465	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.3517	3.857	24	121.3517	14.875	24	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.4057	3.595	10	121.4057	12.921	10	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	116.6520	0.000	1	116.6520	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	119.6375	0.415	2	119.6375	0.172	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.7140	0.000	1	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.4967	0.644	6	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.6630	3.524	2	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.3901	2.838	30	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.1330	3.875	2	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1570	2.854	4	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1921	4.170	8	121.2105	9.216	53	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.7178	0.505	9	122.7178	0.255	9	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.7470	0.000	1	120.1294	14.890	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.2157	3.968	16	120.1294	14.890	17	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.8745	3.191	2	120.8745	10.184	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.3420	0.088	2	121.3613	8.547	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.0660	0.000	1	121.3613	8.547	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.5096	2.691	9	121.3613	8.547	12	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	120.8610	0.981	4	120.8610	0.961	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.1595	3.052	31	121.0376	12.372	48	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.8153	4.336	17	121.0376	12.372	48	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.6170	2.270	4	121.5696	3.874	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.3800	0.000	1	121.5696	3.874	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	123.4405	0.432	2	121.0415	7.834	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.2418	2.804	6	121.0415	7.834	8	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	117.0280	0.000	1	117.0280	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.8005	2.996	2	120.8005	8.976	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.3450	0.000	1	123.3450	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrC)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CIrC)(H)	122.9710	0.000	1	122.9710	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CIrN)(H)	121.1090	0.000	1	121.0540	0.043	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrN)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CIrN)(H)	121.0265	0.285	2	121.0540	0.043	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.0820	0.000	1	119.0820	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	121.1180	0.541	3	121.1180	0.292	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.3923	2.767	3	118.6827	7.118	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.5540	0.000	1	118.6827	7.118	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.4440	0.000	1	123.4440	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.2840	0.000	1	122.2840	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.7780	0.000	1	123.7915	0.091	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.7725	0.520	2	123.7915	0.091	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.8430	0.000	1	123.7915	0.091	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.9710	0.000	1	121.9710	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.7410	0.896	3	121.7410	0.803	3	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	115.7752	0.782	4	115.7752	0.612	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	113.5370	0.000	1	113.5370	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	117.8165	1.122	2	117.8165	1.259	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	111.5830	0.000	1	115.0320	5.485	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	115.8850	0.259	2	115.0320	5.485	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.7750	0.000	1	115.0320	5.485	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	115.4606	0.686	5	115.4606	0.470	5	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.0735	0.066	2	116.0735	0.004	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	115.0040	0.525	2	115.0040	0.275	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	116.4865	0.391	2	116.4865	0.153	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	117.2220	0.000	1	117.2220	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuC)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Ru<6>,1|C<3>}	N(C[6a]C[6a]2)(CRuC)(H)	122.3090	0.000	1	122.3090	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.5517	2.266	4	121.5517	5.135	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	123.1410	0.000	1	123.1410	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(H)	122.3840	0.351	2	122.3840	0.123	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.4135	0.315	2	117.1620	0.123	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.9105	0.129	2	117.1620	0.123	4	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|N<3>,1|O<1>,1|S<2>}	N(C[6a]C[6a]2)(COO)(H)	127.0630	0.000	1	127.0690	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|N<3>,1|O<1>,1|S<3>}	N(C[6a]C[6a]2)(COO)(H)	127.0750	0.000	1	127.0690	0.000	2	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	124.9910	0.000	1	124.9910	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNS)(H)	122.2850	0.000	1	122.2850	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	125.0060	0.000	1	125.0060	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.1770	0.000	1	124.1770	0.000	1	120.5171	8.875	9325	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	118.5130	0.000	1	118.5130	0.000	1	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.2705	3.217	2	119.2705	10.347	2	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(O)	119.0330	1.257	2	118.8744	0.444	12	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(O)	118.8427	0.601	10	118.8744	0.444	12	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(O)	119.3760	1.846	4	119.3760	3.406	4	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(O)	118.7927	1.345	6	118.7927	1.809	6	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]H)(O)	119.3435	2.390	4	119.3435	5.710	4	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2)(O)	119.5265	1.443	2	119.5265	2.083	2	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(O)	118.9643	0.821	18	118.9643	0.673	18	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.6808	2.020	4	119.4361	2.616	20	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.4095	2.040	2	119.4361	2.616	20	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.4492	1.707	10	119.4361	2.616	20	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	118.8195	0.862	2	119.4361	2.616	20	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.5250	2.304	2	119.4361	2.616	20	119.1350	1.763	69	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.2940	0.000	1	119.0740	8.369	3	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	118.4640	3.808	2	119.0740	8.369	3	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	124.4520	0.331	2	124.4520	0.110	2	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	124.2820	0.000	1	124.2820	0.000	1	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	117.2330	0.000	1	117.2330	0.000	1	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	126.1660	0.000	1	126.1660	0.000	1	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	120.1347	7.328	4	120.1347	53.703	4	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.1407	3.169	4	120.2932	5.360	40	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.3411	2.173	14	120.2932	5.360	40	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.8520	6.460	2	120.2932	5.360	40	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.2179	1.959	14	120.2932	5.360	40	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	120.2728	2.238	6	120.2932	5.360	40	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	120.1812	2.933	26	120.1758	8.361	28	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	120.1055	3.262	2	120.1758	8.361	28	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	119.6310	2.054	6	119.6310	4.220	6	120.3347	8.654	86	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:O-1:	C[6a](C[6a]C[6a]H)2(NC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	119.4060	0.288	2	119.4060	0.083	2	119.4060	0.083	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.3600	0.000	1	117.3600	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.5560	0.000	1	120.5560	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.2665	1.313	2	120.1693	4.399	6	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.7130	2.831	3	120.1693	4.399	6	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.3440	0.000	1	120.1693	4.399	6	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.7500	0.000	1	116.7500	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.3173	0.645	4	120.3173	0.417	4	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.9700	1.018	4	117.9700	1.036	4	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.5605	0.060	2	120.5605	0.004	2	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	123.2730	0.000	1	123.2730	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	126.0120	0.000	1	126.0120	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.1370	0.000	1	121.1370	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	118.9270	0.000	1	118.9270	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.3570	1.365	2	119.2472	1.371	4	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.1375	1.484	2	119.2472	1.371	4	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.2945	1.094	2	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.6260	1.069	2	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.1087	2.492	3	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.8734	2.033	8	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.3671	1.898	12	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.2090	0.173	2	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.3026	1.585	12	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.8870	1.124	2	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.1744	2.280	36	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.6646	2.887	20	120.2419	4.719	99	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.9220	0.000	1	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	116.0410	0.000	1	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	119.0560	0.000	1	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.4785	3.882	6	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.0655	3.905	2	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.1940	4.795	6	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.3199	5.304	10	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	120.6271	4.240	8	120.2400	17.816	35	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.3773	3.646	3	120.3773	13.295	3	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	123.9820	0.000	1	123.9820	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	119.5740	0.000	1	119.5740	0.000	1	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.1675	3.591	4	121.1675	12.892	4	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	122.6225	1.107	2	122.6225	1.225	2	120.2514	7.514	172	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]H)2(NC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.2617	2.209	7	119.7861	4.219	13	119.7861	4.219	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]H)2(NC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.2312	1.893	6	119.7861	4.219	13	119.7861	4.219	13	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	119.3100	0.000	1	119.3100	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	122.5603	0.802	3	122.5603	0.643	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	114.9300	0.000	1	114.9300	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.1500	0.000	1	121.1500	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.4353	2.549	9	121.4353	6.498	9	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.0560	0.000	1	119.0560	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)2(H)	120.0245	0.213	2	120.0245	0.045	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	119.7700	0.000	1	118.0395	5.989	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	116.3090	0.000	1	118.0395	5.989	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	119.6595	1.552	2	120.6024	1.041	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.6005	0.230	4	120.6024	1.041	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.8391	1.117	8	120.6024	1.041	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	124.0600	0.000	1	124.0600	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)2(H)	123.5063	0.150	3	121.7615	1.710	11	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.1072	0.802	8	121.7615	1.710	11	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.1733	0.751	6	121.1733	0.564	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	122.6370	0.000	1	122.6370	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.8860	0.000	1	120.8860	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	118.8170	0.000	1	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	122.8450	0.536	2	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.4544	1.171	35	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	122.2440	0.000	1	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	123.2820	0.000	1	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.4342	1.088	36	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.0485	1.679	2	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)2(H)	118.2130	2.937	2	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.9555	1.070	144	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.0965	1.644	21	120.7376	1.813	245	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5027	3.081	3	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.5195	0.221	2	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5912	1.808	9	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.8690	0.000	1	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.7140	1.977	2	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.5729	0.272	8	120.9499	5.904	25	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.7873	1.340	4	121.7873	1.796	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)2(H)	118.7150	0.000	1	118.7150	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.3750	0.000	1	123.3750	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.6945	0.572	15	121.3168	1.429	17	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	118.4835	0.295	2	121.3168	1.429	17	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	124.1320	0.000	1	124.1320	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.0610	2.082	2	123.0610	4.334	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.4126	0.424	7	118.4126	0.180	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)2(H)	121.1340	0.000	1	121.1340	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	127.2722	0.269	4	127.0810	0.255	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	126.6985	0.788	2	127.0810	0.255	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|F<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	124.8470	0.000	1	124.8470	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	115.1610	0.000	1	115.1610	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	120.4690	0.371	2	120.4690	0.137	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	125.2110	0.000	1	125.2110	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.2960	0.000	1	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)2(H)	123.6160	0.283	2	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	122.8060	0.000	1	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.1300	1.798	16	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)2(H)	121.7440	2.694	2	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	121.1622	0.665	5	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)2(H)	120.9955	0.619	2	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.2228	0.545	6	121.3726	2.161	35	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	125.3950	0.072	2	122.7304	5.257	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.6646	1.707	5	122.7304	5.257	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	121.0020	0.000	1	120.5105	0.483	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.0190	0.000	1	120.5105	0.483	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.3935	0.134	2	122.3935	0.018	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)2(H)	125.9965	1.394	13	122.1320	6.692	49	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	120.7365	0.981	36	122.1320	6.692	49	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	126.2440	0.218	2	124.4877	9.278	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	120.9750	0.000	1	124.4877	9.278	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	120.6710	0.000	1	120.6710	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	125.4520	0.000	1	125.4520	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	123.5370	1.585	3	123.4008	1.749	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)2(H)	122.9920	0.000	1	123.4008	1.749	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	124.6143	1.259	3	124.6143	1.586	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	124.4820	0.000	1	124.4820	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	123.5557	1.227	3	123.9758	1.709	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)2(H)	125.2360	0.000	1	123.9758	1.709	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	N(C[6a]C[6a]2)2(H)	117.8890	0.000	1	117.8890	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)2(H)	122.0143	0.816	3	121.5745	0.740	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)2(H)	120.5885	0.647	2	121.5745	0.740	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)2(H)	121.7920	0.617	3	121.5745	0.740	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)2(H)	120.6627	2.846	3	120.2287	6.122	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)2(H)	121.0520	2.198	2	120.2287	6.122	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)2(H)	120.9260	0.000	1	120.2287	6.122	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	116.5830	0.000	1	120.2287	6.122	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.9750	0.000	1	123.9750	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	N(C[6a]C[6a]2)2(H)	122.2287	0.707	3	122.2287	0.500	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)2(H)	122.2130	0.000	1	122.2130	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	120.0850	1.689	2	119.9083	1.519	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	119.5550	0.000	1	119.9083	1.519	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.7483	4.289	3	118.7483	18.395	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	124.6350	0.000	1	124.6350	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	124.7290	0.000	1	124.7290	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	117.0563	2.128	11	117.0563	4.529	11	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.7398	4.524	6	120.6325	16.049	13	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.9043	3.824	6	120.6325	16.049	13	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	124.3570	0.000	1	120.6325	16.049	13	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	118.9540	0.000	1	120.0296	3.420	30	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.0401	1.818	17	120.0296	3.420	30	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	119.2466	0.793	5	120.0296	3.420	30	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.5153	2.628	6	120.0296	3.420	30	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.9280	0.000	1	120.0296	3.420	30	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.2216	4.125	10	121.2216	17.016	10	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	123.2720	0.000	1	123.2720	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	118.3671	4.394	7	119.0629	20.419	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	123.9330	0.000	1	119.0629	20.419	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.2500	0.000	1	123.2500	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.8174	0.690	8	121.8174	0.477	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.7375	1.083	2	121.9932	22.822	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.2490	7.425	2	121.9932	22.822	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	120.3046	0.842	8	120.3046	0.709	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6372	3.795	4	120.5369	9.575	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	120.7890	2.640	2	120.5369	9.575	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4237	3.252	8	120.5369	9.575	14	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.3392	3.067	4	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.2900	7.105	2	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.3980	0.744	2	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.4260	5.245	2	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	117.4450	0.000	1	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	117.1050	0.000	1	119.8446	11.154	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	120.6575	0.009	2	120.6575	0.000	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	120.1265	2.931	2	120.1265	8.591	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	120.1620	3.400	2	120.1620	11.558	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	121.1480	3.281	2	120.7006	3.729	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	120.7950	2.251	2	120.7006	3.729	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	120.4297	1.785	4	120.7006	3.729	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4725	1.583	2	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6185	1.159	2	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.5362	3.030	4	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.7365	1.791	6	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4480	1.605	2	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.4673	1.195	8	120.5575	2.622	24	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	122.0537	4.310	3	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	123.2362	2.693	11	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	120.6171	4.030	10	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	120.0853	1.859	4	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	121.2200	5.638	2	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	122.0607	4.291	7	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	117.3050	0.000	1	121.6432	12.905	38	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.3500	4.183	6	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	117.5954	1.786	8	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.6483	0.159	3	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.6565	6.923	2	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.5926	3.406	8	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.4387	3.903	4	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.6602	3.116	14	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.5763	3.972	8	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.4235	3.077	2	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.4294	4.096	28	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.4685	4.775	4	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.5582	3.925	6	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.1200	0.000	1	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	115.8100	0.000	1	120.0473	13.444	95	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.4690	0.000	1	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.9730	0.000	1	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.3461	1.734	16	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	122.6872	0.983	5	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.6130	0.000	1	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	118.7100	0.348	2	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.9050	3.894	3	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.4560	4.134	2	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.5450	0.000	1	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.6380	2.096	10	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.8673	2.613	26	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.6706	2.316	28	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.1500	1.939	2	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)2(H)	120.9800	1.391	12	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	120.8288	2.985	26	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.7719	2.217	40	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)2(H)	120.7795	1.375	8	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	120.9003	2.824	10	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	120.8698	2.258	14	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.5403	2.337	256	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.4757	3.044	28	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.8566	2.637	34	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.3656	0.835	7	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.8780	1.591	2	120.6136	5.629	535	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7570	3.906	10	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.2665	1.124	17	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.8800	0.000	2	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.4032	5.178	6	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.5556	3.687	50	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.6930	6.005	2	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.2438	4.806	4	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.9183	2.741	8	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.7399	2.144	20	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.5583	5.211	4	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.3337	3.958	62	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.4794	3.353	30	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.6688	3.834	12	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.7230	1.960	2	120.1762	12.888	229	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.8183	0.295	3	123.8183	0.087	3	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.9370	3.783	2	120.0020	6.636	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	119.5345	2.327	4	120.0020	6.636	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.6660	0.000	2	122.6660	0.000	2	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.3730	0.000	1	119.3730	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.4878	3.555	4	121.4878	12.637	4	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.5462	3.410	6	121.5462	11.628	6	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	121.5890	1.798	8	121.5890	3.231	8	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.7260	0.000	1	119.8650	5.008	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	120.8315	0.033	2	119.8650	5.008	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.7903	2.582	3	119.8650	5.008	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.9367	2.670	6	119.8650	5.008	12	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.5865	1.630	16	122.5865	2.658	16	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.5134	0.384	5	122.5134	0.147	5	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.6379	1.640	7	122.6379	2.688	7	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	122.2110	0.000	1	122.2110	0.000	1	120.7371	7.168	1636	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(NC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(O)	120.2865	1.193	10	120.2865	1.423	10	120.2865	1.423	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(NCH)(H)	118.3440	0.000	1	118.3440	0.000	1	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHN){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NCC)(H)	115.8040	0.000	1	115.8040	0.000	1	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(NCH)(H)	121.9740	0.000	1	121.9740	0.000	1	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NPdC)(H)	124.5350	0.000	1	124.5350	0.000	1	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.7410	0.000	1	120.4920	0.596	5	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.7285	0.172	2	120.4920	0.596	5	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.1310	1.386	2	120.4920	0.596	5	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NHH)(H)	120.1343	0.262	3	120.1343	0.069	3	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	121.6917	0.442	3	121.6917	0.195	3	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	120.3230	3.333	2	120.4481	5.025	28	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	120.5980	1.112	2	120.4481	5.025	28	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	120.4460	2.315	24	120.4481	5.025	28	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C)(H)	120.3028	1.771	4	120.3028	3.137	4	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	120.5239	2.038	8	120.5239	4.154	8	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Mn)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Mn)(H)	120.6063	1.884	6	120.6063	3.550	6	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]P)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]P)(H)	120.1870	3.638	4	120.1870	13.238	4	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NHS)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NHS)(H)	119.9865	0.657	2	119.9865	0.432	2	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NIrC)(H)	120.2585	0.552	2	120.2585	0.305	2	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NOO)(H)	119.5830	6.020	6	119.5830	36.244	6	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRhC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NRhC)(H)	120.3510	3.053	2	120.3510	9.323	2	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	121.5430	2.814	2	121.5430	7.920	2	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NPdC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NPdC)(H)	119.3770	0.000	1	119.3770	0.000	1	120.4010	6.236	80	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	118.2500	1.425	3	118.2500	2.030	3	118.6699	0.886	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	118.1160	0.000	1	118.1160	0.000	1	118.6699	0.886	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	118.6532	0.660	4	118.6532	0.435	4	118.6699	0.886	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Rh)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]Rh)(O)	119.6100	0.000	2	119.6100	0.000	2	118.6699	0.886	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	123.1000	0.000	1	123.1000	0.000	1	120.4873	7.016	12	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	120.9290	0.000	1	120.9290	0.000	1	120.4873	7.016	12	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	120.1531	2.546	8	120.1819	7.691	10	120.4873	7.016	12	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	120.2970	4.879	2	120.1819	7.691	10	120.4873	7.016	12	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	120.0438	3.693	4	120.0438	13.642	4	120.0438	13.642	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	120.3342	2.238	4	120.3342	5.008	4	120.3342	5.008	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PC[6]2)(H)	119.3935	1.206	2	119.3935	1.454	2	121.2908	2.642	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	121.8800	0.000	1	121.8800	0.000	1	121.2908	2.642	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	120.9100	0.000	1	121.0764	1.315	5	121.2908	2.642	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	121.1180	1.320	4	121.0764	1.315	5	121.2908	2.642	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]N)(H)	123.4295	0.374	2	123.4295	0.140	2	121.2908	2.642	10	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	121.8520	0.173	2	121.8520	0.030	2	121.2625	1.156	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	120.6730	1.431	2	120.6730	2.048	2	121.2625	1.156	4	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCO)(H)	120.4890	1.174	2	120.3942	5.142	6	120.4477	4.258	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCO)(H)	120.3395	2.948	2	120.3942	5.142	6	120.4477	4.258	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCO)(H)	120.3540	3.951	2	120.3942	5.142	6	120.4477	4.258	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[3x6]O)(H)	120.6085	2.007	2	120.6085	4.030	2	120.4477	4.258	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.3380	0.000	1	122.3380	0.000	1	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.1058	1.343	4	120.0716	2.890	14	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.0895	2.951	2	120.0716	2.890	14	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.7810	0.553	2	120.0716	2.890	14	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.3155	4.433	2	120.0716	2.890	14	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.0517	1.034	4	120.0716	2.890	14	120.2227	3.026	15	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	120.6220	0.000	1	120.6220	0.000	1	120.6220	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	120.1295	3.546	2	120.1295	12.575	2	120.1295	12.575	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.6940	0.000	1	119.8770	1.842	6	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.0910	0.000	1	119.8770	1.842	6	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.6192	1.294	4	119.8770	1.842	6	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.6330	0.000	1	119.6330	0.000	1	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9240	0.000	1	120.4836	1.221	13	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6136	1.045	12	120.4836	1.221	13	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.3885	0.634	2	121.3885	0.402	2	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.1400	0.000	1	121.1400	0.000	1	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.6820	0.000	1	118.9533	0.067	3	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|I<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.0890	0.156	2	118.9533	0.067	3	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]I)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.5940	0.000	1	120.7596	0.622	5	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]I)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.5510	0.734	4	120.7596	0.622	5	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]I)2(NCH)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8250	0.000	1	120.3414	0.967	5	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]I)2(NCH)	C[6a](C[6a]C[6a]N)2(I)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7205	0.576	4	120.3414	0.967	5	120.3184	1.208	36	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	118.7330	0.000	1	118.7330	0.000	1	118.7330	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(O){1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	111.9713	0.941	3	111.9713	0.886	3	116.4785	14.231	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CCC)(H)	118.9680	0.000	1	118.9680	0.000	1	116.4785	14.231	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.1125	0.334	2	119.1125	0.112	2	116.4785	14.231	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]O)2(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]O)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.3605	0.322	2	119.3605	0.104	2	116.4785	14.231	8	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	112.8550	0.000	1	112.4210	0.377	2	112.4210	0.377	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	111.9870	0.000	1	112.4210	0.377	2	112.4210	0.377	2	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	114.1210	0.000	1	114.1210	0.000	1	114.1210	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(CCO)(H)	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	120.6185	8.566	13377	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	119.7380	0.119	2	119.7380	0.014	2	119.7380	0.014	2	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:Ge-2:	C[6a](C[6a]C[6a]H)2(NAsGe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	C[6a](C[6a]C[6a]H)2(NAsGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	121.0315	3.006	2	121.0315	9.036	2	121.0315	9.036	2	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CN)	119.9365	0.107	2	119.9365	0.011	2	119.8530	0.271	4	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-2:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(CC)	119.7695	0.879	2	119.7695	0.773	2	119.8530	0.271	4	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(NC)	119.2910	0.000	1	119.2910	0.000	1	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(NC)	119.4135	0.060	2	119.4135	0.004	2	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(NC)	119.5400	0.511	2	119.7523	0.162	6	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(NC)	119.8585	0.371	4	119.7523	0.162	6	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N)(NC)	121.1855	1.667	2	121.1855	2.778	2	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(COO)(NC)	119.6470	1.667	2	119.6470	2.780	2	119.8690	0.897	13	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(OH)	119.1170	0.000	1	119.1170	0.000	1	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(OH)	117.1030	0.000	1	117.1030	0.000	1	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	121.1410	0.085	2	121.1410	0.007	2	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	118.2010	0.000	1	118.2010	0.000	1	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	121.1260	0.000	1	120.3440	1.641	5	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	120.1275	0.845	2	120.3440	1.641	5	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	120.1695	2.255	2	120.3440	1.641	5	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OH)	119.7880	0.826	2	119.6625	1.706	10	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OH)	119.6311	1.446	8	119.6625	1.706	10	119.7524	1.971	20	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CC)	120.1025	0.564	11	119.9767	0.449	32	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC)	119.9109	0.723	21	119.9767	0.449	32	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CMo)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CMo)	119.7488	0.674	4	119.7488	0.454	4	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CN)	119.2930	0.485	24	119.2930	0.236	24	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CW)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CW)	120.1325	0.702	4	120.1325	0.493	4	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC)	121.0035	0.981	2	121.0035	0.962	2	119.7549	0.516	66	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]H)2(NC[6a]Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(GeMo)	C[6a](C[6a]C[6a]H)2(NC[6a]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(GeMo)	121.3840	0.634	2	121.3840	0.401	2	121.3840	0.401	2	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NC)	120.2336	0.703	60	120.2336	0.494	60	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NMo)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NMo)	119.7950	0.942	26	119.7950	0.888	26	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(NNb[5])	119.8333	1.570	4	119.8530	0.611	20	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(NNb[5])	119.9652	0.669	4	119.8530	0.611	20	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NNb[5])	119.8363	0.492	8	119.8530	0.611	20	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(NNb[5])	119.7938	0.605	4	119.8530	0.611	20	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NRu)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NRu)	119.6221	0.955	8	119.6221	0.913	8	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NTi)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NTi)	120.2915	0.730	54	120.2915	0.532	54	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NV)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NV)	119.3050	0.527	4	119.3050	0.278	4	120.0912	0.640	172	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(OH)	120.6750	0.000	1	120.6750	0.000	1	120.6410	1.448	3	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(OH)	120.6240	1.701	2	120.6240	2.894	2	120.6410	1.448	3	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-3:N-2:	C[6a](C[6a]C[6a]H)2(NInN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(InCC)(NC)	C[6a](C[6a]C[6a]H)2(NInN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(InCC)(NC)	120.5535	3.695	2	120.5535	13.650	2	120.5535	13.650	2	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:Ge-2:	C[6a](C[6a]C[6a]H)2(NGeN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Ge)(GeN)	C[6a](C[6a]C[6a]H)2(NGeN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Ge)(GeN)	120.2375	0.462	2	120.2375	0.213	2	120.2375	0.213	2	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-2:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)(OCa)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(OCa)	118.3840	0.417	2	118.3840	0.174	2	118.4893	2.578	10	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-2:	C[6a](C[6a]C[6a]H)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]O)(OCo)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(OCo)	118.5156	1.813	8	118.5156	3.286	8	118.4893	2.578	10	119.9496	0.937	298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	121.6940	0.000	1	121.6940	0.000	1	121.6940	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	118.5220	0.000	1	118.5220	0.000	1	117.9085	0.753	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	117.2950	0.000	1	117.2950	0.000	1	117.9085	0.753	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H){4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.2670	0.256	2	119.2670	0.066	2	119.2670	0.066	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	118.1870	0.000	1	118.1870	0.000	1	118.8760	0.949	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)2	119.5650	0.000	1	119.5650	0.000	1	118.8760	0.949	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	120.8150	0.000	1	120.8150	0.000	1	120.8150	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	120.6900	0.000	1	120.6900	0.000	1	120.2595	1.579	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.7790	1.952	2	119.7790	3.809	2	120.2595	1.579	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	120.7900	0.000	1	120.7900	0.000	1	120.2595	1.579	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.0640	0.000	1	121.0640	0.000	1	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	119.9377	0.829	4	119.9377	0.687	4	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.6240	0.000	1	120.2625	0.261	2	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.9010	0.000	1	120.2625	0.261	2	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.2770	0.612	2	120.1227	0.259	3	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.8140	0.000	1	120.1227	0.259	3	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	119.9500	0.000	1	119.9500	0.000	1	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.2950	1.691	2	120.2950	2.861	2	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.7250	0.000	1	120.7250	0.000	1	120.2124	0.546	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	N(C[6a]C[6a]2)3	120.0580	0.737	2	119.9313	0.320	3	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)3	119.6780	0.000	1	119.9313	0.320	3	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)3	122.5280	0.354	2	122.5280	0.125	2	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	119.7627	0.873	16	119.7627	0.762	16	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	119.9891	0.880	9	119.9891	0.774	9	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.6735	1.641	2	118.6735	2.694	2	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)3	120.4343	0.705	17	120.3857	0.462	19	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	119.9980	0.000	1	120.3857	0.462	19	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)3	119.9480	0.000	1	120.3857	0.462	19	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]2)3	120.1285	1.273	2	120.1285	1.622	2	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)3	119.9630	0.923	2	119.9630	0.853	2	120.1057	0.951	55	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)2	119.9040	0.000	1	119.9040	0.000	1	119.9040	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)3	121.1670	0.000	1	121.1670	0.000	1	120.3155	0.413	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	119.6130	0.000	1	119.6130	0.000	1	120.3155	0.413	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	119.6320	0.000	1	119.6320	0.000	1	120.3155	0.413	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	120.2995	0.245	2	120.2995	0.060	2	120.3155	0.413	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)3	120.8820	0.000	1	120.8820	0.000	1	120.3155	0.413	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)3	120.4103	1.448	3	120.4103	2.098	3	120.4103	2.098	3	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)3	119.4930	0.000	1	119.4930	0.000	1	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a]2)3	121.1240	1.325	4	121.1240	1.757	4	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)3	119.1382	0.444	4	119.1382	0.197	4	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.3220	0.280	2	120.3220	0.078	2	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)3	120.7929	1.044	7	120.9830	1.006	13	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N(C[6a]C[6a]2)3	120.8777	0.328	4	120.9830	1.006	13	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N(C[6a]C[6a]2)3	121.8590	1.837	2	120.9830	1.006	13	120.5819	1.345	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	122.3370	1.414	2	122.3370	2.000	2	122.3370	2.000	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)3	121.2629	1.219	8	121.2629	1.487	8	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)3	120.7830	1.127	2	121.2143	0.437	6	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)3	121.4300	0.344	4	121.2143	0.437	6	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)3	121.6478	0.441	5	121.6478	0.195	5	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)3	120.2490	1.061	2	120.3714	2.386	10	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)3	120.4020	1.704	8	120.3714	2.386	10	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)3	118.4295	0.838	2	118.4295	0.702	2	120.8452	1.830	31	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:N[5]-3:C-3:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)2	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	121.2968	0.619	4	121.2968	0.384	4	121.2185	0.267	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	121.0620	0.335	2	121.0620	0.112	2	121.2185	0.267	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]Cl)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]Cl)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	121.5325	0.534	2	121.5325	0.285	2	121.5325	0.285	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.9635	0.573	2	120.9635	0.329	2	120.9635	0.329	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]F)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	121.0076	1.310	8	121.0076	1.716	8	121.0076	1.716	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(NC[6a]C)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]F)2(NC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)2(CHN)	121.9725	0.244	2	121.9725	0.060	2	121.9725	0.060	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]N)2(F)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(F){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)3	121.2345	0.702	2	121.2345	0.493	2	121.2345	0.493	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:Ge[6]-3:	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)2(Ge[6]N[6]2)	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)2(Ge[6]N[6]2)	122.7413	2.248	4	122.7413	5.054	4	122.7413	5.054	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[5]C[5,6a]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(B[5]C[5,6a]P[5])(C[6a]C[6a]2)2	119.6517	0.508	4	119.6517	0.259	4	119.6517	0.259	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NB[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NB[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	121.1390	0.301	2	121.1390	0.091	2	121.1390	0.091	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NB[6]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NB[6]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	121.1640	2.662	2	121.1640	7.084	2	121.1640	7.084	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	120.8078	1.584	24	120.8078	2.508	24	120.8078	2.508	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	120.7825	1.579	8	120.7825	2.494	8	120.7825	2.494	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	119.9633	0.389	4	119.9633	0.151	4	119.9633	0.151	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	119.5400	0.376	2	119.5400	0.142	2	119.5400	0.142	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:B[5]-3:	C[6a](C[6a]C[6a]H)2(NB[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	120.8945	1.234	2	120.8945	1.523	2	120.8945	1.523	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	119.1560	0.858	2	119.1560	0.737	2	119.1560	0.737	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	120.1895	0.521	2	120.1895	0.272	2	120.1750	2.003	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	120.1256	1.874	8	120.1256	3.511	8	120.1750	2.003	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	120.2665	0.616	4	120.2665	0.379	4	120.1750	2.003	14	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]2)2(C[6a]C[6a]2)	121.0300	1.031	2	121.0300	1.063	2	121.0300	1.063	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	121.8360	0.000	1	121.8360	0.000	1	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|O<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	120.4230	0.000	1	120.4230	0.000	1	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	120.0905	0.828	2	120.0905	0.686	2	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	119.8945	1.346	2	119.8945	1.811	2	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	119.3155	0.951	2	119.3155	0.905	2	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	119.5680	0.759	2	119.5680	0.577	2	119.9996	0.986	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.2501	1.013	18	120.2838	0.910	102	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.8870	0.785	4	120.2838	0.910	102	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.2475	1.434	4	120.2838	0.910	102	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.2620	0.930	76	120.2838	0.910	102	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	120.4205	1.029	4	120.4205	1.059	4	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	119.9417	1.930	4	119.9417	3.725	4	120.2764	0.980	110	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	117.4935	0.122	2	117.4935	0.015	2	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	121.9410	2.052	2	121.9410	4.211	2	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	121.2310	0.000	1	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.7223	3.140	4	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.6390	0.216	2	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	120.5895	0.562	2	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	120.2957	1.922	4	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.7248	1.264	14	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	119.4575	1.261	8	119.8162	2.302	35	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	118.1090	0.000	1	118.1090	0.000	1	119.7636	2.696	40	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	119.6849	1.065	10	119.6849	1.134	10	118.7374	3.128	15	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	115.9093	0.180	3	116.8424	1.666	5	118.7374	3.128	15	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	118.2420	0.263	2	116.8424	1.666	5	118.7374	3.128	15	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	119.4300	0.452	12	119.4300	0.205	12	119.5360	0.496	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	119.6420	0.899	12	119.6420	0.809	12	119.5360	0.496	24	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	120.4035	0.914	2	120.4035	0.836	2	120.4035	0.836	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5]-3:C-3:	C[6a](C[6a]C[6a]H)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	C[6a](C[6a]C[6a]H)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	120.4575	0.448	2	120.4575	0.200	2	120.4575	0.200	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:B[5]-3:	C[6a](C[6a]C[6a]H)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[6])(B[5]O[5]2)	120.6950	0.783	2	120.6950	0.614	2	120.6950	0.614	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(COO)2	117.7170	0.000	1	117.7170	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	120.4280	0.000	1	120.4280	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(COO)	119.1750	0.000	1	119.1750	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(COO)	118.0900	0.000	1	117.5760	0.528	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(COO)	117.0620	0.000	1	117.5760	0.528	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)2	120.3880	0.000	1	116.4568	7.843	5	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)2	114.4723	0.083	3	116.4568	7.843	5	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)2	118.4790	0.000	1	116.4568	7.843	5	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	120.1040	0.000	1	120.1040	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	113.6910	0.214	2	113.6910	0.046	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)2	117.7660	0.000	1	117.7660	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)2	118.8065	0.110	2	118.8065	0.012	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	119.6960	0.000	1	119.6960	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)2	120.3670	0.000	1	120.3670	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	119.1790	0.000	1	119.1790	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)(COO)	120.9490	0.000	1	120.9490	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(CCO)	119.7117	0.830	6	119.7117	0.689	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(COO)	120.2545	3.508	2	120.2545	12.306	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(CCO)	119.3175	0.097	2	119.3175	0.009	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(COO)	119.6330	0.849	2	119.6330	0.720	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)2	120.6425	0.750	2	120.6425	0.563	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCN)2	120.0540	1.006	2	119.7115	0.543	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)2	119.3690	0.385	2	119.7115	0.543	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(CNO)	119.6330	0.844	2	119.7648	0.605	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(CNO)	119.8307	0.868	4	119.7648	0.605	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	119.7530	0.129	2	119.7530	0.017	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(CNO)	119.9875	0.459	2	119.9875	0.211	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)(COO)	119.4130	0.000	1	119.4130	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	120.3795	1.978	2	120.3795	3.912	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)2	120.4740	0.549	2	120.3555	1.265	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)2	120.2370	1.854	2	120.3555	1.265	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	120.2810	0.250	2	120.2810	0.063	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	119.4548	1.520	4	119.4548	2.310	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	119.9575	2.467	2	119.9575	6.087	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	119.4680	0.806	2	119.4680	0.650	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	119.9825	0.100	2	119.8067	0.099	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	119.6310	0.403	2	119.8067	0.099	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	119.4240	2.127	2	119.4240	4.524	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	119.8775	0.084	2	119.8775	0.007	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	119.4905	2.217	2	119.4905	4.914	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	119.4875	1.075	4	119.4875	1.156	4	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(COO)	119.4860	0.775	2	119.4860	0.601	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(COS)	119.6490	0.765	2	119.6490	0.585	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	119.5075	0.388	2	119.7792	1.100	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	120.1170	1.257	2	119.7792	1.100	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)2	119.7130	1.840	2	119.7792	1.100	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	119.7760	0.052	2	119.7072	0.456	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	119.6727	0.869	4	119.7072	0.456	6	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)2	119.8029	1.987	10	119.8029	3.950	10	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(COO)	119.5360	0.304	2	119.5360	0.092	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)2	120.1055	2.002	2	119.6942	1.988	8	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)2	119.4465	0.086	2	119.6942	1.988	8	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)2	119.6125	1.772	4	119.6942	1.988	8	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]C)(COO)	119.3630	1.619	2	119.3630	2.622	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	119.7260	2.291	22	119.7260	5.248	22	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	121.5760	0.000	1	120.4637	0.722	7	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	120.3275	0.845	4	120.4637	0.722	7	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	120.1800	0.849	2	120.4637	0.722	7	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNiS)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNiS)(CNS)	119.7570	1.097	2	119.7570	1.204	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPdO)(CNO)	119.9135	0.723	2	119.9135	0.523	2	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	119.5230	0.000	1	119.5230	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(COO)	117.1000	0.000	1	117.1000	0.000	1	119.5265	2.825	152	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(COO)(NCH)	117.1540	0.000	1	117.1540	0.000	1	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(COO)(NCH)	119.1580	0.000	1	119.1580	0.000	1	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(NCH)	119.3420	1.189	2	119.3420	1.415	2	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	118.6520	0.406	2	118.6520	0.165	2	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	120.9150	0.000	1	120.9150	0.000	1	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	118.3510	0.000	1	118.3510	0.000	1	118.9458	1.365	8	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	119.9025	0.559	4	119.9025	0.312	4	119.7573	0.422	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	120.1460	0.000	1	120.1460	0.000	1	119.7573	0.422	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	118.7880	0.000	1	118.7880	0.000	1	119.7573	0.422	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)2	119.9595	1.426	2	120.6887	1.832	4	120.6887	1.832	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)2	121.4180	1.155	2	120.6887	1.832	4	120.6887	1.832	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	119.3150	0.066	2	119.3150	0.004	2	119.0925	0.239	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	118.8700	0.717	2	118.8700	0.514	2	119.0925	0.239	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(BCC)	120.3221	0.707	12	120.3221	0.500	12	120.4903	0.322	38	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(BC[6a]2)	121.1587	0.811	4	120.6374	0.302	14	120.4903	0.322	38	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(BC[6a]2)	120.4288	0.218	10	120.6374	0.302	14	120.4903	0.322	38	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BClFe)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(BClFe)	120.2960	0.319	4	120.2960	0.102	4	120.4903	0.322	38	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BHN)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(BHN)	120.5823	0.433	8	120.5823	0.187	8	120.4903	0.322	38	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(B[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(B[5]C[5]2)	120.0727	0.512	4	120.0727	0.263	4	120.0727	0.263	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	120.0430	0.000	1	120.0430	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.8707	0.994	3	119.8707	0.988	3	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCO)	116.6450	0.000	1	116.6450	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCO)	117.8240	2.494	10	117.8240	6.219	10	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CC[5a]O)	116.6330	0.124	2	116.6330	0.015	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CClO)	119.0200	2.233	2	119.0200	4.986	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.0915	1.738	26	119.4662	0.738	133	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CNO)	119.5573	0.404	107	119.4662	0.738	133	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(COS)	119.2915	1.875	2	119.2915	3.514	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.3400	0.000	1	119.3400	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	119.4560	0.000	1	119.4560	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	120.5030	0.170	2	120.5030	0.029	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CC[5a]O)	118.9270	0.000	1	118.9270	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CCO)	119.1990	0.600	2	119.1990	0.360	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	120.7830	0.000	1	120.7830	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)2(CCO)	118.6475	0.654	2	118.6475	0.428	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.1540	0.000	1	119.1540	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.5980	0.000	1	119.5980	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.7220	0.677	2	119.7220	0.459	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	120.0610	1.267	2	120.0610	1.606	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	119.8367	2.234	4	119.8175	5.213	6	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	119.7790	3.329	2	119.8175	5.213	6	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCN)	119.9174	1.604	8	119.9174	2.572	8	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	120.3070	0.000	1	119.9060	0.984	168	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CCO)	120.1371	1.613	10	119.9060	0.984	168	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CCO)	119.9206	1.207	34	119.9060	0.984	168	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.8800	0.868	123	119.9060	0.984	168	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[5]O)	119.8294	0.466	22	119.8294	0.217	22	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]C)	120.8497	0.615	3	120.4668	0.663	15	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]C)	120.3711	0.852	12	120.4668	0.663	15	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]N)	119.7950	1.493	2	119.9704	0.654	12	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]N)	120.0055	0.737	10	119.9704	0.654	12	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	120.0425	2.347	2	119.9018	0.857	50	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.9155	0.981	2	119.9018	0.857	50	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.8928	0.833	42	119.9018	0.857	50	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.9188	1.534	4	119.9018	0.857	50	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.9876	0.714	30	119.9876	0.510	30	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNS)	119.6792	0.951	94	119.6792	0.904	94	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CN[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CN[5]O)	119.8594	0.735	7	119.8594	0.541	7	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(COS)	119.4005	0.542	22	119.4005	0.294	22	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	119.6155	0.369	4	119.6155	0.136	4	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	121.1315	0.223	4	120.5762	0.986	6	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	119.4655	1.040	2	120.5762	0.986	6	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	119.6270	0.144	2	119.6270	0.021	2	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	118.5860	0.234	4	118.5860	0.055	4	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CCO)	118.1800	0.000	1	118.1800	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	119.9970	0.000	1	119.9970	0.000	1	119.7048	1.074	622	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[4]C[4]2)	119.9917	0.277	4	119.9917	0.077	4	119.6643	0.373	20	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[4]N[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[4]N[4]2)	119.8326	0.730	8	119.8326	0.533	8	119.6643	0.373	20	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[4]S[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[4]S[4]2)	119.3323	0.477	8	119.3323	0.228	8	119.6643	0.373	20	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[5]O[5]2)	119.1382	0.704	4	119.1382	0.495	4	119.1382	0.495	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	119.8200	0.000	1	119.8200	0.000	1	120.0777	1.045	33	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	120.3054	0.824	10	120.2739	1.151	24	120.0777	1.045	33	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	120.2514	1.251	14	120.2739	1.151	24	120.0777	1.045	33	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6]N[6]2)	119.6693	0.797	4	119.6693	0.635	4	120.0777	1.045	33	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6]O[6]2)	119.3735	0.683	4	119.3735	0.466	4	120.0777	1.045	33	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.3250	1.080	2	120.3250	1.167	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	118.1240	0.492	2	120.2510	1.249	51	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.3181	1.110	43	120.2510	1.249	51	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.8335	0.036	2	120.2510	1.249	51	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)3	120.4625	0.473	2	120.2510	1.249	51	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.1425	0.493	2	120.2510	1.249	51	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	119.2040	0.000	1	119.2040	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	118.0417	0.180	3	118.0417	0.033	3	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	117.9020	0.000	1	117.9925	0.016	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	118.0830	0.000	1	117.9925	0.016	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	119.9890	1.278	3	119.9890	1.634	3	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	119.2467	0.092	4	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)3	122.0023	0.140	4	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	122.1420	0.000	1	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.1740	0.252	2	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	120.9596	1.300	7	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	121.1315	0.413	4	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	120.6335	2.006	2	120.8332	1.456	24	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)3	119.7860	0.181	3	119.7860	0.033	3	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.6538	0.628	5	119.9164	0.950	19	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)3	121.2110	0.027	2	119.9164	0.950	19	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.8101	1.031	12	119.9164	0.950	19	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)3	119.2320	0.000	1	119.2320	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	118.7940	0.465	2	118.7940	0.216	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)3	120.6037	1.585	4	120.6037	2.511	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)3	121.3180	0.000	1	121.3180	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	119.0736	1.251	8	119.3709	1.162	21	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.5538	0.964	13	119.3709	1.162	21	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	118.1790	0.000	1	118.1790	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	117.7635	0.664	2	117.7635	0.441	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	121.8869	0.697	9	121.8869	0.485	9	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	120.8705	1.109	2	123.7721	6.288	10	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	124.4975	2.214	8	123.7721	6.288	10	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|O<2>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	120.1960	0.775	2	120.1960	0.601	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.5745	1.025	2	119.5745	1.050	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)3	122.0920	0.000	1	122.0920	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.6890	0.245	2	119.6890	0.060	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.8600	0.660	2	120.8432	0.690	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.5935	1.442	2	120.8432	0.690	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	121.0760	0.837	2	120.8432	0.690	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	120.1032	1.136	5	120.1032	1.290	5	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)3	119.4380	2.432	2	119.4380	5.917	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	121.0740	1.532	2	121.0740	2.346	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	120.6038	1.063	4	120.6038	1.130	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	120.1857	0.350	4	120.1885	0.402	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	120.1940	1.283	2	120.1885	0.402	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	120.7712	1.022	16	120.7601	1.495	36	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	120.6697	1.520	12	120.7601	1.495	36	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	120.8736	1.256	8	120.7601	1.495	36	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	120.7848	2.242	4	120.7848	5.028	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.9285	1.065	15	120.7846	0.841	31	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.4506	0.773	12	120.7846	0.841	31	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.2473	0.306	4	120.7846	0.841	31	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.8960	1.684	2	120.8922	1.124	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.9925	1.435	2	120.8922	1.124	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.7880	0.827	2	120.8922	1.124	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	120.6015	0.261	6	120.6015	0.068	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	123.3910	0.717	2	123.3910	0.514	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	120.3670	0.468	2	119.9190	1.164	52	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	120.7250	2.178	4	119.9190	1.164	52	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	119.8295	0.961	46	119.9190	1.164	52	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.9740	0.488	2	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	121.3321	1.037	7	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	121.4250	0.755	4	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	120.0970	0.427	2	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.8867	0.864	9	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.3493	0.692	4	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.8468	0.645	13	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.7278	0.904	4	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.3247	0.851	68	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.7773	0.637	77	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	120.6469	0.854	142	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)3	120.6576	1.362	8	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)3	120.3907	0.568	6	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)3	120.7736	0.911	22	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	120.5744	1.161	164	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	120.6297	0.913	407	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)3	121.1675	0.269	2	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.4013	0.906	1587	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.5231	0.823	18	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.8305	0.889	794	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	119.6690	0.000	1	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.6990	1.164	4	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.6467	1.754	3	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.7380	0.000	1	120.5639	0.858	3349	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	120.0295	0.414	2	120.1891	0.375	16	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	120.2932	0.552	6	120.1891	0.375	16	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.3065	0.575	2	120.1891	0.375	16	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	120.4323	0.561	6	120.1891	0.375	16	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.7635	1.077	4	120.7635	1.160	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	119.0590	0.017	2	120.5809	1.107	13	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.9619	0.848	9	120.5809	1.107	13	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.3885	1.231	2	120.5809	1.107	13	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.4667	0.371	4	120.4667	0.138	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	121.4216	1.238	14	121.4216	1.532	14	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	117.3065	1.111	2	118.9106	2.925	8	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	119.4453	1.574	6	118.9106	2.925	8	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	119.3070	1.621	2	119.3070	2.627	2	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	119.3615	0.772	4	119.3615	0.596	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.0885	0.511	2	119.5208	0.329	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.6005	0.404	2	119.5208	0.329	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.8735	0.766	2	119.5208	0.329	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)3	121.2605	1.854	4	121.2605	3.439	4	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.1467	0.706	3	120.1467	0.498	3	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	118.9570	0.000	1	118.9570	0.000	1	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	117.6010	0.447	6	117.6010	0.200	6	120.5402	0.993	3762	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NCH)	120.5580	1.034	4	120.5580	1.069	4	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(NC[6a]2)	120.2556	0.742	16	120.2885	0.451	20	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(NC[6a]2)	120.4203	0.282	4	120.2885	0.451	20	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(NHH)	121.2180	0.956	2	120.8573	0.766	12	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NHH)	120.7852	0.895	10	120.8573	0.766	12	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NMoH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NMoH)	119.5085	0.394	4	119.5085	0.155	4	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NTiC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NTiC)	120.6021	1.122	20	120.6021	1.258	20	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NTiH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NTiH)	120.6255	1.173	8	120.6255	1.376	8	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NTiP)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NTiP)	120.3475	0.935	4	120.3475	0.874	4	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	120.1960	1.355	2	120.1960	1.836	2	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(NC[6a]2)	121.6838	0.652	4	121.6838	0.424	4	120.5370	0.941	78	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(PClC)	120.4370	0.761	2	120.4370	0.579	2	120.5404	0.863	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PCN)	120.6105	1.333	4	120.6105	1.777	4	120.5404	0.863	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PC[6a]C)	120.5220	0.778	4	120.5220	0.606	4	120.5404	0.863	10	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(P[5]C[5]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(P[5]C[5]2)	119.0010	0.031	2	119.0010	0.001	2	119.0010	0.001	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SiSi2)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SiSi2)	120.9818	0.389	4	120.9818	0.152	4	120.9818	0.152	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-3:C-3:	C[6a](C[6a]C[6a]H)2(NGeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GeCW)(CHS)	C[6a](C[6a]C[6a]H)2(NGeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GeCW)(CHS)	119.8645	1.528	2	119.8645	2.335	2	119.8645	2.335	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge[4]-3:As-3:	C[6a](C[6a]C[6a]H)2(NGe[4]As)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(NGe[4]As){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	121.3690	1.638	2	121.3690	2.682	2	121.3690	2.682	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:B-3:	C[6a](C[6a]C[6a]H)2(NBN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]B)(BC[6]N)	C[6a](C[6a]C[6a]H)2(NBN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]B)(BC[6]N)	120.8098	1.270	4	120.8098	1.612	4	120.8098	1.612	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C)(CPdN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C)(CPdN)	118.9540	0.784	4	118.9540	0.615	4	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	120.0100	1.369	2	120.0100	1.874	2	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	120.4305	2.409	2	120.4305	5.804	2	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(COO)	119.2864	1.320	11	119.2864	1.742	11	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(CPdN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(CPdN)	119.3675	0.706	2	119.3675	0.499	2	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(COO)	120.1113	1.616	11	120.1113	2.610	11	119.6502	1.965	32	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:P-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]P)(PC[6a]2)	120.7957	0.679	4	120.7957	0.461	4	120.7957	0.461	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C-3:	C[6a](C[6a]C[6a]H)2(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	119.4360	0.698	6	119.4360	0.487	6	119.4360	0.487	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NN[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	119.5632	0.299	6	119.5632	0.089	6	119.5632	0.089	6	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.2670	0.000	1	120.2670	0.000	1	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.5780	0.000	1	120.5310	0.601	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.5505	0.110	2	120.5310	0.601	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.6140	1.974	2	120.5310	0.601	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.3270	0.000	1	120.5310	0.601	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PC[6a]2)2	120.5070	0.485	2	120.5310	0.601	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PCl2)2	119.5400	0.117	2	119.7738	0.355	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PCl2)2	119.8517	0.682	6	119.7738	0.355	8	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PFF)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PFF)2	119.5590	0.707	4	119.5590	0.500	4	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(POO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(POO)2	119.9795	0.838	2	119.9795	0.702	2	120.0391	0.562	23	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:C-3:	C[6a](C[6a]C[6a]H)2(NP[4]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C[6a](C[6a]C[6a]H)2(NP[4]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	120.0505	0.507	2	120.0505	0.257	2	120.0505	0.257	2	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-3:P-3:	C[6a](C[6a]C[6a]H)2(NP[4]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	C[6a](C[6a]C[6a]H)2(NP[4]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	119.6090	0.217	4	119.6090	0.047	4	119.6090	0.047	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	Ge[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NGe[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Ge[6]N[6,6a]N[6])(C[6a]C[6a]2)(NC[6a]Ge[6])	C[6a](C[6a]C[6a]H)2(NGe[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Ge[6]N[6,6a]N[6])(C[6a]C[6a]2)(NC[6a]Ge[6])	121.2852	1.923	4	121.2852	3.698	4	121.2852	3.698	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	120.0580	1.837	2	119.7302	1.268	4	119.7302	1.268	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	119.4025	0.032	2	119.7302	1.268	4	119.7302	1.268	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[5a]-3:C[6a]-3:C[6a]-3:	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	121.2972	0.907	4	121.2972	0.823	4	121.2972	0.823	4	120.3666	1.214	5298	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8150	0.000	1	119.8150	0.000	1	119.8150	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(CCCH)	123.2360	0.000	1	123.2360	0.000	1	122.6098	0.755	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(CCHH)	122.3917	1.084	3	122.3917	1.175	3	122.6098	0.755	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(CH3)	122.6240	0.945	2	122.6240	0.892	2	122.6098	0.755	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.6990	0.779	2	120.6990	0.607	2	120.6990	0.607	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NPdO)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Pd)(NCN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NPdO)(CH3)	123.6770	0.140	2	123.6770	0.020	2	123.6770	0.020	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	120.2540	0.455	2	120.2540	0.207	2	120.2540	0.207	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	119.2040	0.776	2	119.2040	0.603	2	120.0762	0.789	12	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	120.5598	0.882	4	120.2506	0.695	10	120.0762	0.789	12	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	119.9347	0.292	4	120.2506	0.695	10	120.0762	0.789	12	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	120.2640	1.697	2	120.2506	0.695	10	120.0762	0.789	12	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	119.4125	0.682	2	119.4125	0.466	2	119.9580	0.495	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	120.1797	0.702	4	120.1797	0.493	4	119.9580	0.495	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	120.0600	0.843	2	120.0600	0.710	2	119.9580	0.495	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)(SC[6a]OO)	120.0250	1.196	8	120.0250	1.431	8	120.0250	1.431	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	117.7640	0.000	1	117.7640	0.000	1	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	120.1740	0.000	1	120.1740	0.000	1	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	121.0285	1.604	2	121.0285	2.574	2	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	120.9620	0.547	2	120.9620	0.300	2	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	120.9660	0.484	2	120.9660	0.234	2	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	121.1920	0.098	2	121.1920	0.010	2	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	120.8915	1.076	4	120.8915	1.157	4	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	120.7353	0.624	4	120.5270	0.509	5	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	119.6940	0.000	1	120.5270	0.509	5	120.6545	1.042	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	119.8140	0.560	4	119.8140	0.314	4	119.9885	0.719	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)	120.6600	1.684	2	120.6600	2.837	2	119.9885	0.719	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	119.6660	0.147	2	119.6660	0.022	2	119.9885	0.719	8	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	118.5100	0.000	1	118.5100	0.000	1	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	121.4195	0.653	2	120.4630	0.763	8	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.1442	0.704	6	120.4630	0.763	8	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	119.2405	1.218	4	119.2405	1.482	4	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.0625	0.292	2	120.0625	0.085	2	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	118.7530	0.069	2	118.7530	0.005	2	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	117.5815	0.359	2	117.5815	0.129	2	119.5774	1.537	19	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NC[6]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	C[6a](C[6a]C[6a]H)2(NC[6]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	119.6550	0.272	4	119.6550	0.074	4	119.6550	0.074	4	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	119.5145	0.086	2	119.5145	0.007	2	119.5145	0.007	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-3:In-4:	C[6a](C[6a]C[6a]H)2(NAsIn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(AsC[6a]2)(InCl3)	C[6a](C[6a]C[6a]H)2(NAsIn){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(AsC[6a]2)(InCl3)	121.7760	0.918	2	121.7760	0.842	2	121.7760	0.842	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:C-4:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BClFe)(CH3)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(BClFe)(CH3)	120.6142	0.771	4	120.6142	0.594	4	120.6142	0.594	4	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.2300	0.000	1	119.2300	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.0820	0.000	1	119.0820	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	116.5540	0.298	2	116.6743	0.088	3	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	116.9150	0.000	1	116.6743	0.088	3	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	117.5420	0.000	1	117.5420	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	117.9248	0.445	4	117.9248	0.198	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	119.7100	0.000	1	119.7100	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	119.1445	0.876	2	119.1445	0.768	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.2353	0.277	3	118.5783	3.449	19	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.3428	2.033	12	118.5783	3.449	19	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.7380	0.000	1	118.5783	3.449	19	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	122.2690	0.000	1	118.5783	3.449	19	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.0810	0.793	2	118.5783	3.449	19	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.5840	3.096	4	118.5840	9.584	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	118.6507	1.034	3	118.6507	1.070	3	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6]O)(CH3)	119.4460	0.860	2	119.4460	0.739	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]O)(CH3)	119.7115	0.272	2	119.7115	0.074	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.2673	0.587	25	118.2673	0.345	25	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.3355	0.606	4	120.3355	0.367	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.3940	0.000	1	120.1995	0.076	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.0050	0.000	1	120.1995	0.076	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	120.8430	0.000	1	120.8430	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	117.6780	0.636	2	118.8212	3.092	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.3140	0.000	1	118.8212	3.092	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.6150	0.000	1	118.8212	3.092	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.5957	0.738	3	120.5957	0.545	3	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.6583	0.469	12	119.7379	0.599	38	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.3640	0.078	2	119.7379	0.599	38	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.9070	0.799	21	119.7379	0.599	38	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.4543	0.536	3	119.7379	0.599	38	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.1073	0.701	12	120.1073	0.491	12	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(CH3)	119.7610	0.000	1	119.7610	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]C)(CH3)	121.8570	1.522	2	121.8570	2.316	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(CH3)	120.6635	0.367	2	120.6635	0.135	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	119.9687	0.883	14	119.9687	0.779	14	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	119.5805	0.996	2	119.5805	0.993	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	119.8028	0.852	12	119.8714	0.600	16	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	120.0772	0.512	4	119.8714	0.600	16	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	120.1135	0.893	2	120.1135	0.798	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(CH3)	120.0495	0.486	4	120.0495	0.237	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	120.1105	2.478	2	120.1105	6.143	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	120.8278	1.919	4	120.7228	1.642	12	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	121.1200	1.254	2	120.7228	1.642	12	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	120.5205	0.983	6	120.7228	1.642	12	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	121.3790	0.021	2	121.3790	0.000	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	119.8310	1.158	2	119.8310	1.342	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	120.6300	0.332	2	120.6300	0.110	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.0094	1.303	12	120.0979	1.012	40	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.3650	0.642	4	120.0979	1.012	40	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.0257	0.690	12	120.0979	1.012	40	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.1695	1.121	12	120.0979	1.012	40	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.0140	1.039	4	119.8203	0.808	71	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.1358	0.970	6	119.8203	0.808	71	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.7781	1.117	8	119.8203	0.808	71	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.6067	0.813	39	119.8203	0.808	71	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	120.2487	0.861	14	119.8203	0.808	71	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CMgO)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CMgO)(CH3)	120.5450	1.052	2	120.5450	1.107	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(CH3)	120.2530	0.000	1	120.2530	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	120.6295	0.726	4	120.6295	0.527	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	120.9370	0.934	4	120.9370	0.873	4	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.0885	0.769	2	119.1600	1.153	24	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.2574	1.056	22	119.1600	1.153	24	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.1292	0.701	12	119.1292	0.491	12	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrO)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CIrO)(CH3)	125.3480	0.000	1	125.3480	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	119.5820	0.000	1	119.5820	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	119.7900	0.000	1	119.7900	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.3780	0.000	1	120.3780	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdO)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPdO)(CH3)	125.2350	0.000	1	125.2350	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	115.5275	0.032	2	115.5275	0.001	2	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhO)(CH3)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRhO)(CH3)	125.9430	0.000	1	125.9430	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuH)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRuH)(CH3)	118.1700	0.000	1	118.1700	0.000	1	119.6490	1.850	362	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:P-4:	C[6a](C[6a]C[6a]H)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	120.5045	0.477	6	120.5045	0.228	6	120.5045	0.228	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	119.3385	0.812	2	119.3385	0.660	2	119.3385	0.660	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	121.2155	2.160	2	121.2155	4.667	2	121.2038	1.100	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	121.1980	0.527	4	121.1980	0.278	4	121.2038	1.100	6	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	120.3435	0.235	2	120.3435	0.055	2	120.3435	0.055	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	120.2015	1.378	4	120.2015	1.899	4	120.2015	1.899	4	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	120.4490	0.035	2	120.4490	0.001	2	120.4490	0.001	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	119.7610	1.013	2	119.7610	1.025	2	119.7610	1.025	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NC[6]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(NC[6]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	120.2650	0.824	2	120.2650	0.680	2	120.2650	0.680	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-4:	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(BC[5]Cl2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(BC[5]Cl2)	121.0510	0.774	4	121.0510	0.600	4	121.0510	0.600	4	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B[6]-4:	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(B[6]C[6]2Y)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(B[6]C[6]2Y)	120.8279	1.204	30	120.8279	1.451	30	120.8279	1.451	30	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.1060	0.000	1	118.1060	0.000	1	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CCCH)	118.7250	0.000	1	118.7250	0.000	1	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	120.1440	1.482	3	120.1440	2.198	3	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CH3)	119.9925	0.728	2	119.9925	0.529	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.4695	0.364	6	119.4695	0.132	6	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	119.0810	0.000	1	119.0810	0.000	1	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.7788	0.660	4	118.7788	0.435	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCHH)	119.5570	0.000	1	119.5570	0.000	1	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCHH)	120.7720	1.227	5	121.3031	0.776	13	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	121.6350	0.376	8	121.3031	0.776	13	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.2460	0.000	1	121.3690	2.522	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CH3)	122.4920	0.000	1	121.3690	2.522	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.7255	0.036	2	119.0567	1.181	17	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.4322	0.334	6	119.0567	1.181	17	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.4193	0.516	3	119.0567	1.181	17	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.2370	0.610	5	119.0567	1.181	17	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.4770	0.000	1	119.0567	1.181	17	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	121.2290	0.636	2	121.2290	0.405	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(CCHH)	121.0850	0.000	1	121.0850	0.000	1	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CH3)	121.3402	2.597	4	121.2880	5.070	5	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(CH3)	121.0790	0.000	1	121.2880	5.070	5	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.5992	1.256	5	121.5992	1.577	5	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8024	0.651	8	119.8024	0.424	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CH3)	125.0255	0.771	2	125.0255	0.595	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.8865	0.634	10	120.8865	0.402	10	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|P<3>}	N(C[6a]C[6a]2)2(CH3)	120.3200	0.728	2	120.3200	0.530	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CIrHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<4>}	N(C[6a]C[6a]2)2(CIrHO)	119.0485	0.428	2	119.0485	0.183	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	120.7310	0.355	2	120.7310	0.126	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.1578	0.600	15	119.1578	0.360	15	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	120.4420	0.708	8	120.4420	0.501	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	119.9010	0.212	2	119.9010	0.045	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	120.0697	0.099	4	119.9593	0.284	6	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	119.7385	1.117	2	119.9593	0.284	6	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	121.1520	1.434	2	121.1520	2.056	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	120.9965	1.231	2	120.9965	1.516	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	119.5063	0.729	6	119.5063	0.532	6	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	120.4470	0.863	8	120.4470	0.744	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.4563	0.827	3	119.8221	0.594	13	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.7440	0.800	4	119.8221	0.594	13	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	120.0570	0.785	6	119.8221	0.594	13	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCCH)	120.1915	0.046	2	120.1915	0.002	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	120.6309	0.961	37	120.6493	0.936	43	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	120.7625	1.089	6	120.6493	0.936	43	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[4]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[4]HH)	120.7387	2.534	4	120.7387	6.421	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[5]HH)	121.1790	0.719	4	121.1790	0.517	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6]HH)	121.2820	1.124	2	121.2820	1.264	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	120.7608	1.227	4	120.7608	1.505	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCaNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCaNN)	120.5323	1.398	4	120.5323	1.955	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCeNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCeNN)	120.0027	0.612	4	120.0027	0.375	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.5490	0.882	4	120.6368	0.432	22	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.3795	0.863	2	120.6368	0.432	22	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.4101	0.555	10	120.6368	0.432	22	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CH3)	121.1588	0.424	6	120.6368	0.432	22	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CHHN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CHHN)	120.6926	0.989	8	120.6926	0.977	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CHHP)	120.6746	1.075	16	120.6746	1.156	16	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CIrNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CIrNN)	120.9275	0.909	4	120.5480	1.459	34	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CIrNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CIrNN)	120.4974	1.246	30	120.5480	1.459	34	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CN[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CN[5]HH)	120.3314	1.594	8	120.3314	2.540	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CZrOO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CZrOO)	120.1220	2.209	7	120.1220	4.878	7	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	120.2762	0.630	24	120.2762	0.397	24	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	119.9685	1.166	2	119.9685	1.360	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1071	0.920	20	120.2306	0.726	72	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.4327	0.902	4	120.2306	0.726	72	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.4950	1.543	2	120.2306	0.726	72	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.2552	0.816	46	120.2306	0.726	72	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	119.7227	0.761	6	119.7227	0.579	6	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	119.3441	0.819	8	119.3441	0.670	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.8717	0.769	3	119.6905	0.453	19	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	119.6565	0.676	16	119.6905	0.453	19	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	120.2095	0.841	8	120.2095	0.707	8	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.4057	0.536	4	120.4057	0.287	4	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1410	0.994	20	120.1410	0.989	20	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.6853	0.450	3	120.6934	0.096	7	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.6995	0.239	4	120.6934	0.096	7	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.1405	0.943	2	120.1405	0.888	2	120.2837	1.257	486	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NH3)	119.7610	3.475	4	119.7610	12.075	4	119.7610	12.075	4	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PBCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(PBCC)	119.7740	0.441	2	119.7740	0.195	2	119.7871	1.051	17	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(PNiOO)	119.2977	0.439	3	119.2977	0.193	3	119.7871	1.051	17	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PC[6a]SeN)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PC[6a]SeN)	120.0380	1.242	8	120.0380	1.543	8	119.7871	1.051	17	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PCl2W)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PCl2W)	119.6590	1.175	4	119.6590	1.381	4	119.7871	1.051	17	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	120.6220	0.000	1	120.6220	0.000	1	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(SC[6a]OO)	118.8410	1.971	2	118.8410	3.886	2	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	118.7200	0.000	1	118.7200	0.000	1	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	122.0290	0.000	1	122.0290	0.000	1	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	120.5965	1.875	2	120.5965	3.514	2	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SCOO)	119.8030	0.127	2	119.6900	0.818	10	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(SCOO)	119.6705	2.604	2	119.6900	0.818	10	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SCOO)	119.5853	0.377	4	119.6900	0.818	10	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(SCOO)	119.8060	0.188	2	119.6900	0.818	10	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	120.1685	1.962	2	120.1685	3.850	2	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	120.2495	0.974	2	120.2495	0.948	2	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SCOO)	119.2095	0.162	2	119.2095	0.026	2	119.8435	1.407	23	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SiFeCC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SiFeCC)	120.9225	1.193	16	120.9225	1.423	16	121.0258	1.174	31	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SiN[6]CC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SiN[6]CC)	120.8525	0.426	12	120.8525	0.182	12	121.0258	1.174	31	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SiRuCC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(SiRuCC)	121.2130	0.100	2	121.2130	0.010	2	121.0258	1.174	31	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(SiRuCC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ru<8>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)2(SiRuCC)	124.3830	0.000	1	124.3830	0.000	1	121.0258	1.174	31	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	121.6210	0.238	2	121.6210	0.056	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C[5])(CC[6a]HH)	120.8650	0.494	2	120.8650	0.244	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCuC)(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCuC)(CH3)	120.5990	1.372	2	120.5990	1.882	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NFeC)(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NFeC)(CH3)	120.4655	2.073	2	120.4655	4.295	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NNiC)(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NNiC)(CH3)	121.0120	0.354	2	121.0120	0.125	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NTiC)(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NTiC)(CH3)	120.9650	1.042	2	120.9650	1.086	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NPdC)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NPdC)(CH3)	121.7160	0.000	1	121.7160	0.000	1	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRhO)(CH3)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Rh<8>,1|C<3>}	N(C[6a]C[6a]2)(NRhO)(CH3)	121.8770	0.000	1	121.8140	0.008	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRhO)(CH3)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<8>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(NRhO)(CH3)	121.7510	0.000	1	121.8140	0.008	2	121.0933	0.793	15	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:S-4:	C[6a](C[6a]C[6a]H)2(NN[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NN[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	119.2625	3.221	2	119.2625	10.374	2	119.2625	10.374	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	121.3900	0.252	2	121.3900	0.063	2	121.3900	0.063	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(CH3)	120.8040	0.424	2	120.8040	0.180	2	120.8040	0.180	2	120.1213	1.647	1108	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:5:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:In-5:	C[6a](C[6a]C[6a]H)2(NC[5]In)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	C[6a](C[6a]C[6a]H)2(NC[5]In){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	119.5605	0.540	2	119.5605	0.291	2	119.5605	0.291	2	119.5605	0.291	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	124.5870	0.429	2	124.5870	0.184	2	123.0572	2.553	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(CH3)(H)	121.5190	0.000	1	121.5190	0.000	1	123.0572	2.553	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(CH3)(H)	122.2965	1.351	2	122.2965	1.826	2	123.0572	2.553	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	124.3580	0.000	1	124.2442	0.275	4	124.2442	0.275	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	124.1665	0.893	2	124.2442	0.275	4	124.2442	0.275	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	124.2860	0.000	1	124.2442	0.275	4	124.2442	0.275	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	126.2360	0.000	1	125.7615	0.450	2	125.9655	0.290	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	125.2870	0.000	1	125.7615	0.450	2	125.9655	0.290	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	126.5250	0.000	1	126.5250	0.000	1	125.9655	0.290	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	125.8140	0.000	1	125.8140	0.000	1	125.9655	0.290	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3x6]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	128.7590	0.000	1	128.7590	0.000	1	128.7590	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	121.7230	0.000	1	122.0490	0.213	2	121.3408	4.185	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	122.3750	0.000	1	122.0490	0.213	2	121.3408	4.185	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	122.8320	0.000	1	120.8687	7.428	3	121.3408	4.185	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	117.7570	0.000	1	120.8687	7.428	3	121.3408	4.185	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	122.0170	0.000	1	120.8687	7.428	3	121.3408	4.185	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6,6,6a]C[6a])(CH3)(H)	121.6590	0.000	1	121.6590	0.000	1	121.6590	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H){3|C<3>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	120.9030	0.000	1	120.9030	0.000	1	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]N)(H){3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	120.8150	0.000	1	120.8150	0.000	1	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	121.1873	0.227	3	121.1873	0.052	3	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	120.9525	0.934	2	120.9525	0.873	2	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CCHH)(H)	121.9480	0.000	1	121.9480	0.000	1	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CH3)(H)	123.5060	0.000	1	123.5060	0.000	1	121.4043	0.855	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	121.2870	0.497	5	120.7798	0.628	11	121.2521	1.674	16	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	120.3572	0.766	6	120.7798	0.628	11	121.2521	1.674	16	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	120.1860	0.000	1	122.2910	2.744	5	121.2521	1.674	16	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	122.8173	1.346	4	122.2910	2.744	5	121.2521	1.674	16	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	121.7635	0.187	2	121.7635	0.035	2	121.7635	0.035	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	120.6492	0.321	4	120.6492	0.103	4	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	120.5647	0.455	3	120.5647	0.207	3	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	120.2835	0.753	2	120.2835	0.567	2	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNiNS)(H)	118.3690	0.000	1	118.3690	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	121.6620	0.459	4	121.6620	0.211	4	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	121.0250	0.000	1	121.0250	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	122.8530	0.000	1	122.8530	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	120.9430	0.816	2	121.3564	0.377	5	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	121.6320	0.370	3	121.3564	0.377	5	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	122.6640	0.000	1	122.6640	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	121.1880	0.833	3	121.1880	0.694	3	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	123.1010	0.000	2	123.1010	0.000	2	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	122.6688	0.731	25	122.6688	0.534	25	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	124.1890	0.069	2	124.1890	0.005	2	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	123.0810	0.000	1	123.0810	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	123.5567	0.151	4	123.5567	0.023	4	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(H)	124.2120	0.000	1	124.2120	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	124.3280	0.000	1	124.3280	0.000	1	122.1952	1.649	61	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	126.4300	0.000	1	126.4300	0.000	1	126.4300	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	124.4660	0.000	1	124.4660	0.000	1	124.7570	0.169	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHP){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	125.0480	0.000	1	125.0480	0.000	1	124.7570	0.169	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	121.3600	0.000	1	121.3600	0.000	1	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	119.7825	0.639	2	119.7825	0.408	2	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[5a]OO)(H)	126.5875	0.008	2	126.5875	0.000	2	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	122.7285	1.698	2	124.0588	3.911	4	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	124.4480	0.000	1	124.0588	3.911	4	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	126.3300	0.000	1	124.0588	3.911	4	123.3706	8.065	9	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	119.4990	0.000	1	119.4990	0.000	1	120.3894	0.526	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	120.6120	0.610	4	120.6120	0.372	4	120.3894	0.526	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7640	1.735	2	119.7640	3.011	2	119.4215	1.439	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7260	0.000	1	119.0790	0.837	2	119.4215	1.439	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4320	0.000	1	119.0790	0.837	2	119.4215	1.439	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.2590	0.000	1	120.8720	5.114	3	120.9056	8.758	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.6785	2.515	2	120.8720	5.114	3	120.9056	8.758	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	124.4770	0.000	1	120.9560	24.795	2	120.9056	8.758	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.4350	0.000	1	120.9560	24.795	2	120.9056	8.758	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.1557	0.544	4	121.3196	0.358	44	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	121.3359	0.607	40	121.3196	0.358	44	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,2|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.0990	0.000	1	119.0990	0.000	1	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9320	0.000	1	120.9320	0.000	1	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.6287	0.474	12	121.6554	0.215	13	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.9760	0.000	1	121.6554	0.215	13	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	118.8270	0.000	1	118.8270	0.000	1	121.3073	0.520	60	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PClNN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PClNN)(H)	122.3445	0.650	2	122.3445	0.422	2	122.3445	0.422	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	121.5375	0.578	4	121.5375	0.334	4	121.5375	0.334	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.7600	0.000	1	123.7600	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|Br<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.4360	0.000	1	122.4360	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.8870	0.000	1	120.8870	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	123.2170	0.000	1	123.2170	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.8240	0.000	1	122.8240	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.6860	0.000	1	119.6860	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.0530	0.000	1	122.0530	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|C<4>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.2140	0.000	1	123.2140	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	124.9450	0.000	1	124.9450	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	126.3850	0.000	1	126.3850	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	126.9570	0.000	1	126.9570	0.000	1	123.3058	4.723	11	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a,6a]H)2(NCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]H)2(NCO){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CC3)(O)	119.9665	2.702	2	119.9665	7.300	2	119.9665	7.300	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	124.7130	0.000	1	124.7130	0.000	1	123.0392	6.260	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NHP){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	122.4813	2.743	3	122.4813	7.522	3	123.0392	6.260	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.1640	0.000	1	123.1640	0.000	1	121.5181	4.486	8	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.4940	0.000	1	122.4940	0.000	1	121.5181	4.486	8	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.0812	2.306	6	121.0812	5.318	6	121.5181	4.486	8	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.6350	0.000	1	120.6350	0.000	1	120.9930	0.516	6	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]CH)(H)	119.9320	0.000	1	119.9320	0.000	1	120.9930	0.516	6	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.6280	0.000	1	120.6280	0.000	1	120.9930	0.516	6	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.5010	0.000	1	121.5010	0.000	1	120.9930	0.516	6	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	121.6310	0.346	2	121.6310	0.120	2	120.9930	0.516	6	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.4860	0.000	1	121.4860	0.000	1	120.7660	1.037	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0460	0.000	1	120.0460	0.000	1	120.7660	1.037	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.5310	0.000	1	121.5310	0.000	1	123.2873	2.314	3	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(Cl){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(H)	124.1655	0.018	2	124.1655	0.000	2	123.2873	2.314	3	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	118.2780	0.000	1	118.2780	0.000	1	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4467	0.207	3	119.4467	0.043	3	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	121.2360	0.000	1	121.2645	0.002	2	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	121.2930	0.000	1	121.2645	0.002	2	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6285	0.241	4	119.6285	0.058	4	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.3740	1.185	4	121.3740	1.405	4	120.2255	1.458	14	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.2630	0.000	1	119.2630	0.000	1	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHO)(H)	119.2820	0.283	2	119.2820	0.080	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	118.7490	0.000	1	118.7490	0.000	1	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.6110	0.000	1	120.6110	0.000	1	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)(H)	119.2600	0.412	2	119.2600	0.169	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	118.7600	0.677	2	118.7600	0.459	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]F)(NCH){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(F){1|F<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(H)	129.1825	0.422	2	129.1825	0.178	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH){1|F<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	129.5325	0.308	2	129.5325	0.095	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(CCHH)(H)	123.0953	3.702	6	123.0084	13.639	8	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.7475	5.172	2	123.0084	13.639	8	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CH3)(H)	122.6075	3.655	4	123.1448	8.770	6	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|Fe<6>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	124.2195	0.564	2	123.1448	8.770	6	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|Fe<6>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.7140	0.033	2	120.7140	0.001	2	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|F<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.3530	0.000	1	119.3530	0.000	1	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|F<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	126.3490	0.000	1	126.3490	0.000	1	122.6040	15.389	31	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]F)2(NHP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]F)2(NHP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	121.4405	0.431	2	121.6283	2.728	4	121.6283	2.728	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]F)2(NHP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]F)2(NHP){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	121.8160	2.803	2	121.6283	2.728	4	121.6283	2.728	4	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.6390	0.000	1	119.6390	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH){3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<3>,4|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	117.0210	0.000	1	117.0210	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.7780	0.000	1	120.2350	0.590	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.6920	0.000	1	120.2350	0.590	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(H)	122.4210	0.000	1	122.4210	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.3120	0.000	1	120.3120	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.2020	0.000	1	122.2020	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.5950	0.000	1	119.5950	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	117.7260	0.000	1	117.7260	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	118.9670	0.000	1	118.9670	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	122.5870	0.000	1	122.5870	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	123.1170	0.000	1	123.1170	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.8590	0.000	1	121.8590	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	123.1060	0.000	1	123.1060	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	118.8510	3.522	4	118.8510	12.408	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.2620	0.000	1	122.2620	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.5573	0.278	3	121.5573	0.078	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]CH)(H)	123.7290	0.000	1	123.7290	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.5240	0.000	1	122.5240	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.5520	0.000	1	122.5520	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.5390	0.000	1	121.5390	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]HH)(H)	116.7820	0.000	1	116.7820	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.0270	0.000	1	121.0270	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.4440	0.000	1	120.4440	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	120.7362	0.461	21	120.7362	0.213	21	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	121.4990	0.000	1	121.4990	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.0600	0.000	1	120.4936	1.020	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.6260	1.022	3	120.4936	1.020	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCCH)(H)	120.4890	0.567	2	120.4936	1.020	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.5457	0.704	3	120.4936	1.020	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	120.3830	0.000	1	120.4936	1.020	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.9220	0.000	1	120.2331	7.691	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.9370	0.789	3	120.2331	7.691	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	121.9810	0.000	1	120.2331	7.691	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	115.7680	0.000	1	120.2331	7.691	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	118.1915	3.115	2	120.2331	7.691	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	120.3640	0.000	1	120.3640	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]CC)(H)	121.7320	0.000	1	121.7320	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	122.7690	0.000	1	122.7690	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	116.4290	0.000	1	117.9330	10.851	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.8680	0.000	1	117.9330	10.851	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	116.2175	0.226	2	117.9330	10.851	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.6090	0.000	1	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.3721	1.286	8	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.7400	0.000	1	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.7380	0.000	1	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.0700	0.000	1	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.8280	0.000	1	120.9971	2.203	13	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.3290	0.457	4	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)(H)	120.9277	0.959	3	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.4564	0.679	7	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.7152	1.044	4	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.0295	0.189	2	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.0880	0.000	1	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.1195	0.257	2	120.7627	0.549	23	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	121.0440	0.000	1	121.0440	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	120.3350	0.000	1	121.2480	1.667	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CRhNN)(H)	122.1610	0.000	1	121.2480	1.667	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRuNN)(H)	120.8060	0.000	1	120.6100	0.077	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CRuNN)(H)	120.4140	0.000	1	120.6100	0.077	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.6800	0.000	1	121.6800	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.1320	0.000	1	122.1320	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	124.1530	0.000	1	124.1530	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCHO)(H)	123.8110	0.148	2	123.8110	0.022	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	124.8510	0.000	1	124.8510	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.5010	0.000	1	123.5010	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CHHP)(H)	124.6010	0.803	2	124.6010	0.645	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	123.8125	0.019	2	123.8125	0.000	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.6380	0.372	4	121.6380	0.138	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.0260	0.000	1	122.0260	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCCH)(H)	120.5630	0.000	1	120.5630	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	120.2080	0.062	2	120.9910	1.841	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	122.5570	0.000	1	120.9910	1.841	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]CH)(H)	120.0650	0.000	1	120.0650	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.4240	0.000	1	119.4240	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	118.3833	2.152	7	119.2033	5.913	12	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	117.7630	1.789	2	119.2033	5.913	12	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	122.0770	0.470	3	119.2033	5.913	12	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	120.9580	0.000	1	121.3060	0.928	6	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	120.0020	0.000	1	121.3060	0.928	6	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CCCH)(H)	121.3190	0.000	1	121.3060	0.928	6	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.8523	0.980	3	121.3060	0.928	6	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.0555	0.489	2	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.0040	0.000	1	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.7479	0.618	26	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(H)	120.4813	0.355	3	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.1372	0.771	5	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.6470	0.000	1	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.1067	0.524	24	120.4500	0.497	62	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]CH)(H)	121.0390	0.000	1	121.0390	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	121.4140	0.000	1	121.4140	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	122.8520	0.000	1	122.8520	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	121.5945	0.496	2	121.5945	0.246	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	123.6500	0.000	1	123.6500	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	119.7305	2.323	4	119.7305	5.397	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.1367	2.749	3	118.4830	6.747	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	116.5220	0.000	1	118.4830	6.747	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.7602	0.905	4	122.6835	1.055	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.0593	0.520	11	122.6835	1.055	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.8370	0.000	1	122.6835	1.055	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.0900	0.000	1	122.6835	1.055	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.9210	0.000	1	121.9428	1.540	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)(H)	122.5028	1.156	5	121.9428	1.540	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.6273	1.125	3	121.9428	1.540	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.1110	0.000	1	121.9428	1.540	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHHP)(H)	123.0530	0.000	1	123.0530	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.9170	0.000	1	119.9170	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	118.8970	0.000	1	118.8970	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.8405	1.927	2	121.3906	1.290	33	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9150	0.677	3	121.3906	1.290	33	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.6220	2.015	2	121.3906	1.290	33	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<2>}	N(C[6a]C[6a]2)(CCHH)(H)	123.4560	0.206	2	121.3906	1.290	33	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9712	0.465	24	121.3906	1.290	33	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	122.4390	0.000	1	122.4390	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.5000	0.000	1	120.5000	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.3360	0.199	3	121.8616	0.515	5	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.1500	0.543	2	121.8616	0.515	5	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,3|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	120.3800	0.389	3	120.3800	0.151	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.0290	0.000	1	120.0290	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	122.4760	0.000	1	122.4760	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.2730	0.000	1	123.2730	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	123.9145	0.067	2	123.9145	0.005	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(H)	123.7410	0.728	2	123.7410	0.530	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	124.2695	0.216	2	123.5693	1.494	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	122.1690	0.000	1	123.5693	1.494	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]CC)(H)	124.8380	0.000	1	124.8380	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	124.6420	0.000	1	124.6420	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	124.0460	0.125	3	124.0612	0.017	5	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	124.0840	0.188	2	124.0612	0.017	5	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	124.1946	0.624	11	124.1946	0.389	11	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CIrNN)(H)	123.2390	0.000	1	123.2390	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CRhNN)(H)	123.9950	0.523	2	123.9950	0.274	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CRuNN)(H)	123.2353	0.839	3	123.2353	0.705	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.4310	0.000	1	121.4310	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.2370	0.000	1	121.2370	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)(H)	121.1236	0.352	12	121.1236	0.124	12	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(H)	122.1010	0.000	1	121.3015	1.278	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.5020	0.000	1	121.3015	1.278	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.1700	0.000	1	121.1700	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	121.6770	0.156	2	121.6770	0.024	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.2920	0.000	1	119.2920	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	125.2950	0.000	1	125.2950	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.8200	0.000	1	122.8200	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	118.6250	0.000	1	118.6250	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	119.0290	0.000	1	119.0290	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.6780	0.000	1	119.6780	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.8222	1.943	6	120.6780	3.334	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.2785	0.158	2	120.6780	3.334	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.8929	1.936	9	120.6780	3.334	17	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)(H)	120.4690	4.139	2	120.4690	17.135	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CIrNN)(H)	120.1060	2.512	2	120.1060	6.308	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	120.1250	2.464	2	120.1250	6.069	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.5270	0.000	1	122.5270	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.8250	0.000	1	122.8250	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.2380	0.000	1	122.2380	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[6]HH)(H)	119.4720	0.000	1	119.4720	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	121.1420	4.067	2	121.1420	16.543	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	122.5170	4.462	2	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.3055	3.038	2	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.4100	0.600	2	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	120.7830	1.670	2	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(H)	121.1867	2.507	6	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.9568	1.855	6	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.1082	2.488	4	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.0687	1.693	4	121.1286	4.203	28	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.5060	1.585	2	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.1565	2.161	6	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9090	1.776	4	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9844	1.520	46	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	121.0772	2.040	4	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9718	2.006	6	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9870	1.723	32	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9797	1.962	4	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9591	1.870	10	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.6330	0.000	1	120.9455	2.780	115	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHN)(H)	121.2455	3.706	2	121.0845	8.072	16	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHN)(H)	121.1778	3.377	6	121.0845	8.072	16	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHN)(H)	120.9622	2.894	4	121.0845	8.072	16	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHN)(H)	120.9862	2.885	4	121.0845	8.072	16	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHO)(H)	120.9580	2.323	4	120.9580	5.399	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHP)(H)	120.8937	3.001	4	120.8937	9.007	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]CH)(H)	121.0345	4.293	2	121.0345	18.429	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	122.5570	0.000	1	120.9539	4.095	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	120.8875	2.321	2	120.9539	4.095	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	120.5863	2.314	4	120.9539	4.095	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]CH)(H)	120.9110	3.121	2	120.9110	9.742	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.1045	3.194	2	120.9750	4.486	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	120.8455	1.785	2	120.9750	4.486	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	120.4050	3.783	2	120.5358	10.892	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6,6]CH)(H)	120.6665	4.277	2	120.5358	10.892	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]CH)(H)	121.2182	1.146	4	121.2182	1.312	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	120.8215	4.850	2	120.8472	4.661	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	120.9990	2.090	2	120.8472	4.661	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	120.8052	1.673	6	120.8472	4.661	10	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2Pd)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2Pd)(H)	121.0080	2.640	2	121.0080	6.971	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	121.0637	3.127	4	120.9714	7.995	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	120.8790	2.976	4	120.9714	7.995	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.3580	0.000	1	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.0495	1.918	10	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.1213	1.780	4	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.6600	2.630	4	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.1957	2.131	14	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.8670	1.923	28	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.1477	1.822	10	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.9077	1.886	4	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	118.4530	0.000	1	120.9810	3.639	76	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.6085	0.097	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.2435	1.856	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.0900	2.174	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.1530	1.158	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.3603	2.204	6	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.7612	1.105	4	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.3235	2.750	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.2194	2.255	8	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.0468	1.667	12	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.8625	1.491	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.9434	1.632	14	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.9009	1.751	10	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.7682	1.736	12	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.5590	0.000	1	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.6925	0.226	2	120.9193	2.804	81	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	121.5367	2.701	4	121.5367	7.296	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	120.5700	3.342	2	120.7149	3.418	14	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	120.6900	2.308	2	120.7149	3.418	14	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	120.6302	1.954	6	120.7149	3.418	14	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	120.7645	2.329	2	120.7149	3.418	14	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	121.0895	1.749	2	120.7149	3.418	14	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CErNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CErNO)(H)	119.9778	1.248	4	119.9778	1.556	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CGdCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CGdCO)(H)	120.3311	3.300	8	120.3311	10.893	8	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.5020	0.000	1	120.9682	1.699	29	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.0265	1.189	6	120.9682	1.699	29	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.1635	1.064	2	120.9682	1.699	29	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.9545	1.434	20	120.9682	1.699	29	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHHP)(H)	121.2043	2.443	4	121.2043	5.969	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNOY)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNOY)(H)	120.3135	1.884	4	120.3135	3.548	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]CH)(H)	121.2078	1.514	6	121.2078	2.291	6	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)(H)	120.2800	3.480	2	120.4327	6.084	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)(H)	120.5855	2.459	2	120.4327	6.084	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	122.7660	0.000	1	121.4893	5.155	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	120.8510	2.804	2	121.4893	5.155	3	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CN[6]HH)(H)	122.5480	0.000	1	121.0610	4.877	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]HH)(H)	120.6115	1.862	2	121.0610	4.877	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]HH)(H)	120.9140	2.774	4	121.0610	4.877	7	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNiNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNiNS)(H)	119.6760	0.256	2	119.6760	0.066	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COsNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COsNN)(H)	120.5210	4.647	2	120.5210	21.596	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CPdNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdNN)(H)	119.8820	4.195	2	119.8820	17.594	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	120.3075	3.492	2	120.3075	12.197	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRuNN)(H)	120.4938	2.431	4	120.4938	5.912	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuNO)(H)	119.9463	5.162	4	119.9463	26.651	4	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CYbNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CYbNO)(H)	120.2620	2.372	2	120.2620	5.625	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.5885	0.243	2	121.5885	0.059	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.0660	3.370	2	120.0660	11.357	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.6385	2.676	2	121.6385	7.163	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.9730	1.601	2	120.9730	2.563	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.6215	2.183	2	120.6215	4.765	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.6600	0.000	1	121.6600	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	118.5970	0.000	1	118.5970	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.8550	0.000	1	121.8550	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	119.4170	3.492	2	119.4170	12.192	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CCHH)(H)	119.1580	0.000	1	119.1580	0.000	1	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	123.4295	0.805	2	123.4295	0.649	2	121.0313	3.536	884	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC3)(O)	119.2070	0.494	2	119.2070	0.244	2	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC3)(O)	123.1760	0.000	1	120.8658	1.101	10	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC3)(O)	120.6091	0.705	9	120.8658	1.101	10	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(O)	119.9833	2.365	6	119.9833	5.593	6	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(O)	120.7097	3.779	4	120.4786	9.608	23	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(O)	120.5873	3.066	18	120.4786	9.608	23	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(O)	117.5960	0.000	1	120.4786	9.608	23	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(O)	118.4944	0.544	9	118.4944	0.296	9	120.0886	5.835	50	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	120.5315	0.634	2	120.5315	0.402	2	120.5315	0.402	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]3)(H)	123.7810	0.000	1	123.7810	0.000	1	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	122.9040	0.000	1	122.9040	0.000	1	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	119.6500	0.000	1	119.6500	0.000	1	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	121.1605	4.030	2	120.7873	11.997	4	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	120.4140	4.381	2	120.7873	11.997	4	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	121.1145	3.145	2	121.6747	5.885	3	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	122.7950	0.000	1	121.6747	5.885	3	121.4508	6.718	10	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	119.9570	0.000	1	119.9570	0.000	1	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	123.6460	0.000	1	123.6460	0.000	1	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.9680	0.000	1	121.9680	0.000	1	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.2980	0.000	1	121.2980	0.000	1	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.7715	0.040	2	121.7715	0.002	2	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	118.4310	0.000	1	118.4310	0.000	1	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	120.7695	4.134	2	120.7695	17.094	2	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.3425	1.911	4	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.0097	1.839	6	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.2935	2.737	2	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.5430	2.478	16	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.2630	2.676	2	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	123.4040	0.000	1	120.9236	4.812	31	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	122.0980	1.093	2	122.0980	1.195	2	121.0288	4.444	42	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GeC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeC[6a]3)(H)	121.6110	0.208	2	121.6110	0.043	2	121.6110	0.043	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCoHH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCoHH)(H)	120.1270	1.520	2	120.1270	2.311	2	120.1270	2.311	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PClNN)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PClNN)(H)	118.0870	0.710	2	118.0870	0.504	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	117.2890	0.000	1	117.2890	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PNOO)(H)	117.8860	0.000	1	117.8860	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PO3)(H)	120.7730	0.000	1	120.7730	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	122.1270	0.000	1	122.1270	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	120.2092	1.399	4	120.2092	1.958	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	119.8435	0.621	6	119.8435	0.386	6	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	121.7930	0.566	2	121.7930	0.320	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCoCC)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PCoCC)(H)	120.9095	0.011	2	120.9958	0.025	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCoCC)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PCoCC)(H)	121.0820	0.214	2	120.9958	0.025	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PFeCC)(H)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PFeCC)(H)	123.7170	0.133	2	123.7170	0.018	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	120.6090	0.000	1	120.6090	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	120.8440	0.000	1	120.8440	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(PO3)(H)	123.6210	0.000	1	123.6210	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(PC[6a]CC)(H)	120.6880	0.000	1	120.6880	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	119.0980	0.460	2	119.0980	0.211	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	119.0857	1.103	3	119.0857	1.216	3	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	123.0877	2.092	3	123.0877	4.377	3	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	116.9460	0.000	1	116.9460	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCNS)(H)	123.2350	0.000	1	123.2350	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	119.3985	0.723	2	119.3985	0.523	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	118.6270	0.000	1	118.6270	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	122.0796	1.995	5	122.0796	3.980	5	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	119.8980	2.988	2	119.8980	8.930	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	122.5320	0.000	1	122.5320	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCNS)(H)	117.1420	0.000	1	117.1420	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	120.6593	2.035	4	120.6593	4.143	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ir)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ir)(H)	120.6814	3.081	8	120.6814	9.491	8	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	120.7620	2.976	2	120.7620	8.854	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ru)(H)	120.6750	2.787	12	120.6750	7.766	12	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	121.3700	0.000	1	121.3700	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)(H)	119.8840	1.970	2	119.8840	3.881	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	120.5457	2.698	4	120.5457	7.278	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]OO)(H)	120.0450	2.212	2	120.0450	4.892	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PFeOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PFeOO)(H)	120.0445	3.647	2	120.0445	13.297	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PHNW)(H)	120.4250	2.373	2	120.4250	5.631	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PN3)(H)	120.2545	2.204	4	120.2545	4.858	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	120.6579	1.917	20	120.5552	3.847	48	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PNNO)(H)	120.6878	2.698	6	120.5552	3.847	48	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	120.4255	1.876	22	120.5552	3.847	48	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	118.9028	1.898	5	118.9028	3.603	5	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	120.6395	3.019	2	120.5304	4.136	16	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	120.4623	1.948	12	120.5304	4.136	16	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	120.8295	3.306	2	120.5304	4.136	16	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	121.1910	2.625	2	120.8877	4.779	10	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	120.6765	2.562	4	120.8877	4.779	10	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	120.5130	3.330	2	120.8877	4.779	10	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	121.3815	2.053	2	120.8877	4.779	10	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PN[6]OO)(H)	120.4870	2.064	8	120.4870	4.261	8	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	123.2480	0.000	1	120.8196	3.870	14	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	118.1810	0.000	1	120.8196	3.870	14	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	120.9325	1.954	6	120.8196	3.870	14	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PO3)(H)	120.2565	3.239	2	120.8196	3.870	14	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	120.9843	1.533	4	120.8196	3.870	14	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(POOS)(H)	120.5352	2.075	4	120.5352	4.307	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PSeNN)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PSeNN)(H)	120.0723	2.218	6	120.0723	4.920	6	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PNOO)(H)	119.6625	0.576	2	119.6625	0.332	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	121.0228	1.554	4	121.0228	2.414	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	121.4605	2.733	4	121.4605	7.469	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	121.2427	2.275	6	121.2427	5.177	6	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	121.5090	0.673	2	121.5090	0.453	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	121.5835	0.077	2	122.5567	2.844	3	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ni)(H)	124.5030	0.000	1	122.5567	2.844	3	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNiCC)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PNiCC)(H)	120.9985	0.179	2	120.9985	0.032	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	120.8045	0.120	2	120.8045	0.014	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	121.2415	0.431	2	122.6545	2.826	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(H)	124.0675	0.554	2	122.6545	2.826	4	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	113.6270	0.000	1	113.6270	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PPdOO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PPdOO)(H)	121.3030	0.430	2	121.3030	0.185	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	120.9260	0.000	1	120.9260	0.000	1	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pt)(H)	121.8005	0.243	2	121.8005	0.059	2	120.6236	4.361	239	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	120.2428	1.993	4	120.2428	3.973	4	120.2816	4.422	12	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	120.2995	2.382	6	120.2995	5.674	6	120.2816	4.422	12	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	120.3055	2.889	2	120.3055	8.344	2	120.2816	4.422	12	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(P[5]N[5]2O)(H)	120.4975	3.680	2	120.4975	13.546	2	120.4975	13.546	2	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	118.8000	0.306	4	118.8000	0.093	4	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	120.5203	1.854	3	120.5203	3.436	3	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	118.3920	0.000	1	118.3920	0.000	1	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	120.4376	0.626	8	120.4376	0.391	8	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	122.4870	0.000	1	120.3236	3.967	15	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	120.1691	1.972	14	120.3236	3.967	15	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	120.1620	2.577	2	120.1620	6.639	2	120.1161	2.623	33	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5973	1.021	3	119.7265	0.762	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1140	0.000	1	119.7265	0.762	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.8930	0.000	1	118.8930	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	114.2360	0.000	1	117.7886	7.157	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.7140	0.000	1	117.7886	7.157	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.9977	1.913	3	117.7886	7.157	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0485	1.135	2	120.0893	0.649	3	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1710	0.000	1	120.0893	0.649	3	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	123.3340	3.192	2	123.3340	10.188	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4370	0.822	2	119.4370	0.675	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2790	0.000	1	120.2790	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8230	0.000	1	117.8230	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	121.9193	1.564	4	121.9193	2.445	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.0980	0.000	1	122.0980	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7640	0.000	1	119.7640	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	117.9070	0.000	1	117.9070	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8578	0.184	5	118.0209	0.130	7	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4285	0.425	2	118.0209	0.130	7	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	117.5800	0.000	1	117.5800	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	117.9710	0.000	1	119.9365	7.726	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	121.9020	0.000	1	119.9365	7.726	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[5a]OO)(H)	121.1990	0.000	1	121.1990	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.5710	0.698	3	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9442	0.677	5	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.9990	0.000	1	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.4390	0.124	3	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8063	1.080	3	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.2815	0.390	2	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.9335	0.333	2	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.8473	1.829	38	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8290	0.000	1	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.1420	0.000	1	121.0977	3.774	59	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SNOO)(H)	122.0590	0.000	1	122.0590	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.3240	0.000	1	119.3240	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8240	0.000	1	119.8240	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.7930	0.000	1	119.7930	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	121.3880	0.000	1	122.3795	1.966	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	123.3710	0.000	1	122.3795	1.966	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.4172	0.567	4	122.0377	0.538	7	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.5317	0.678	3	122.0377	0.538	7	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0740	0.000	1	120.0740	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(H)	119.6750	0.000	1	120.8035	2.547	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(H)	121.9320	0.000	1	120.8035	2.547	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8580	0.000	1	120.7340	2.083	23	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.9965	0.315	2	120.7340	2.083	23	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.2130	0.000	1	120.7340	2.083	23	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.7799	1.402	19	120.7340	2.083	23	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SN[5]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SN[5]OO)(H)	122.8410	0.000	1	122.8410	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.5085	0.764	2	123.5085	0.584	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.3840	0.000	1	123.3840	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(H)	120.5550	0.000	1	120.5550	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.6766	2.623	9	121.6766	6.878	9	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.3100	0.000	1	123.3100	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(H)	124.3440	0.000	1	124.3440	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9910	0.291	2	118.9910	0.085	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0920	0.000	1	120.0920	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1160	0.000	1	120.1664	0.042	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1790	0.234	4	120.1664	0.042	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	121.0330	0.000	1	120.3827	9.368	3	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.0575	4.255	2	120.3827	9.368	3	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	116.2590	0.000	1	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8950	0.978	5	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1903	2.663	6	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6902	0.889	6	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.0110	0.000	1	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.5680	0.000	1	119.5798	3.234	20	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SNOO)(H)	120.2975	4.584	2	120.2975	21.015	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	122.3320	0.000	1	119.5697	16.995	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	116.5660	0.000	1	119.5697	16.995	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.6905	5.857	2	119.5697	16.995	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.4930	0.000	1	119.9639	8.913	14	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.5828	1.875	4	119.9639	8.913	14	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	116.8570	0.014	2	119.9639	8.913	14	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.8910	0.000	1	119.9639	8.913	14	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6777	3.715	6	119.9639	8.913	14	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.2410	0.000	1	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.9700	2.417	2	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.9150	3.299	2	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(H)	120.1488	3.160	4	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(H)	120.2010	0.669	2	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.5480	4.893	2	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	117.9000	0.000	1	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	123.5710	0.000	1	120.1717	6.368	15	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.8260	0.000	1	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0702	0.813	5	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4700	2.670	6	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.6053	0.931	3	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	116.2240	0.625	2	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5145	3.055	2	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.3724	2.345	5	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9235	2.631	2	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9095	3.042	6	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3914	2.886	16	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6873	1.535	4	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9024	2.500	10	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9529	0.447	16	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2968	2.731	10	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8062	2.610	20	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1449	2.207	10	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1749	2.645	34	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.1270	0.000	1	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.0100	1.573	4	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.5680	0.474	2	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.1180	0.000	1	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.3460	0.000	1	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.5590	0.000	1	119.9417	5.759	162	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SFOO)(H)	119.5820	1.372	4	119.5820	1.882	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SNOO)(H)	120.0517	3.221	4	120.0517	10.376	4	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7160	2.978	2	119.7160	8.870	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.0196	2.351	5	122.0196	5.525	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.1437	1.964	3	122.6342	2.445	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.3700	0.512	2	122.6342	2.445	5	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.4295	1.438	2	120.4295	2.067	2	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2400	0.000	1	120.2400	0.000	1	120.3191	5.277	402	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SiC[5]CC)(H)	120.3280	0.000	1	120.3280	0.000	1	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	121.1495	0.200	2	121.1495	0.040	2	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]3)(H)	121.5210	0.543	2	121.5210	0.295	2	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(NSiH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	120.9355	1.460	2	120.9355	2.132	2	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	121.4603	0.917	4	121.3253	1.059	6	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	121.0555	1.597	2	121.3253	1.059	6	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiCCN)(H)	121.1039	0.651	8	121.1039	0.423	8	121.1582	0.598	21	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.5990	0.241	4	121.5990	0.058	4	121.5792	0.046	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.5000	0.000	1	121.5000	0.000	1	121.5792	0.046	5	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]N)(O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	114.9200	0.000	1	114.9200	0.000	1	114.9200	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]N[6a]O)(NCH){1|F<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.7645	0.636	2	114.7645	0.404	2	114.7117	0.210	3	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	114.6060	0.000	1	114.6060	0.000	1	114.7117	0.210	3	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	124.5780	0.000	1	124.5780	0.000	1	124.5780	0.000	1	120.9163	4.479	2001	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(NO)	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(NO)	119.5977	0.494	6	119.5977	0.244	6	119.5977	0.244	6	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(NO)	119.7810	0.000	1	119.7810	0.000	1	119.7810	0.000	1	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCHH)(NO)	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CN)	120.1980	1.187	2	120.1980	1.408	2	120.4467	0.621	4	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CN)	120.6955	0.455	2	120.6955	0.207	2	120.4467	0.621	4	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(NO)	120.5872	0.574	6	120.5872	0.330	6	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCN){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(NO)	120.3050	0.000	1	120.3050	0.000	1	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NO)	118.4070	0.000	1	118.6640	0.132	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CH3)(NO)	118.9210	0.000	1	118.6640	0.132	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(NC)	121.5100	0.000	1	121.3985	0.025	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(NC)	121.2870	0.000	1	121.3985	0.025	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(NO)	120.1730	0.013	2	120.1188	0.223	4	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(NO)	120.0645	0.811	2	120.1188	0.223	4	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(NO)	120.2295	0.583	2	120.2295	0.340	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NC)	120.9125	2.362	2	120.9125	5.581	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NMo)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NMo)	119.1105	0.274	2	119.1105	0.075	2	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(NN)	119.8235	0.049	2	120.1365	0.141	4	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NN)	120.4495	0.172	2	120.1365	0.141	4	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NTi)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NTi)	120.5335	0.760	4	120.5335	0.577	4	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NIr)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NIr)	121.6200	0.000	1	121.6200	0.000	1	120.3078	0.851	30	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	122.6413	0.677	6	122.5371	0.458	7	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(OH)	121.9120	0.000	1	122.5371	0.458	7	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OCo)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(OCo)	120.7770	3.548	2	120.7770	12.590	2	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OMn)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(OMn)	120.6710	3.448	2	120.6710	11.888	2	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(ONi)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(ONi)	120.7720	3.854	2	120.7720	14.851	2	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	119.8905	3.914	2	119.8905	15.318	2	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	120.6145	3.013	2	120.5037	4.849	4	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	120.3930	2.328	2	120.5037	4.849	4	121.2629	5.058	19	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-2:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(SC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(SC)	120.5340	1.068	2	120.5340	1.140	2	121.1962	1.034	4	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-2:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(SS)	121.8585	0.456	2	121.8585	0.208	2	121.1962	1.034	4	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:O-2:	C[6a](C[6a]C[6a]H)2(NC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	120.8015	3.451	2	120.8015	11.912	2	120.8015	11.912	2	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-2:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC)	118.8500	1.502	2	118.8500	2.256	2	118.8500	2.256	2	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(GeN)	122.6450	2.109	4	122.6450	4.450	4	122.6450	4.450	4	120.6054	2.711	74	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	120.9410	0.000	1	120.9410	0.000	1	120.7633	0.593	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	119.9200	0.000	1	119.9200	0.000	1	120.7633	0.593	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	121.4290	0.000	1	121.4290	0.000	1	120.7633	0.593	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CCH)	121.8055	0.709	2	121.8055	0.503	2	121.7297	0.269	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CHH)	121.5780	0.000	1	121.5780	0.000	1	121.7297	0.269	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	119.9500	0.000	1	119.9500	0.000	1	120.6457	1.152	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){2|C<3>,2|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	120.1050	0.000	1	120.1050	0.000	1	120.6457	1.152	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNS)	121.8820	0.000	1	121.8820	0.000	1	120.6457	1.152	3	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.7848	0.897	4	120.7848	0.805	4	120.7460	0.611	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.5910	0.000	1	120.5910	0.000	1	120.7460	0.611	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	120.9260	0.489	2	120.9260	0.239	2	120.8734	0.089	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	120.8383	0.230	3	120.8383	0.053	3	120.8734	0.089	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	120.1260	0.933	2	120.1260	0.871	2	119.9045	1.121	10	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	119.2870	0.783	2	119.2870	0.614	2	119.9045	1.121	10	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	119.9775	2.242	2	119.9775	5.028	2	119.9045	1.121	10	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-4:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	120.0660	0.931	4	120.0660	0.866	4	119.9045	1.121	10	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	118.0530	0.000	1	118.0530	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHO)(CCO)	118.3670	0.000	1	118.3670	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCH)	120.6300	0.205	2	120.6300	0.042	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(CHH)	121.1030	0.000	1	121.1030	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CH3)(CHO)	117.1270	0.000	1	117.1270	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	118.6020	0.000	1	118.6020	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(CNN)	119.2720	0.000	1	119.2720	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.4338	0.827	6	118.6834	0.659	9	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.1827	0.605	3	118.6834	0.659	9	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(COO)	117.9767	1.187	3	117.9767	1.410	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	118.8660	0.000	1	118.8660	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.0750	0.000	1	119.0750	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	116.6105	2.395	2	116.6105	5.736	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCS)	118.5995	0.327	2	118.5995	0.107	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	115.5905	0.661	2	116.5873	3.200	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(CCO)	118.5810	0.000	1	116.5873	3.200	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.2060	0.103	2	119.0112	0.070	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	118.8165	0.220	2	119.0112	0.070	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CNO)	119.0190	0.000	1	119.0190	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CCHH)(COO)	119.6380	0.000	1	119.6380	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CRhN)	119.6035	0.310	2	119.6035	0.096	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	115.8830	0.000	1	115.8830	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	120.4200	0.000	1	120.3487	0.646	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.8195	0.630	2	120.3487	0.646	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.3360	0.000	1	120.3487	0.646	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	118.9095	0.056	2	119.2140	1.044	7	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.2700	0.000	1	119.2140	1.044	7	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.1022	1.280	4	119.2140	1.044	7	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	118.9150	0.000	1	118.9150	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	119.9235	0.156	2	119.9235	0.024	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	118.8600	0.000	1	118.8600	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.1400	2.560	3	118.5829	1.562	14	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.9397	0.871	7	118.5829	1.562	14	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.2905	0.524	4	118.5829	1.562	14	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9170	0.000	1	117.6576	2.537	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	116.7948	1.234	5	117.6576	2.537	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	118.6850	0.853	2	117.6576	2.537	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(COO)	118.3230	0.000	1	118.3230	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(COO)	119.4210	0.000	1	119.4210	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.6950	0.000	1	119.6350	2.247	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.5750	0.000	1	119.6350	2.247	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(COO)	118.3730	0.000	1	118.3730	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC3)(CCO)	119.6480	0.000	1	119.6480	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	120.1270	0.000	1	120.1270	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	120.5160	0.000	1	120.5160	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.5430	0.000	1	119.5915	0.005	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.6400	0.000	1	119.5915	0.005	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.5185	0.278	2	119.5185	0.077	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.6185	0.486	2	119.7683	0.185	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.0680	0.000	1	119.7683	0.185	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	118.3330	0.000	1	118.3330	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(CCO)	120.3710	0.591	4	120.3710	0.350	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(CHO)	119.6090	0.000	1	119.6090	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(CNO)	121.0590	0.000	1	121.0590	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	118.8959	0.617	7	119.0756	0.343	23	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.2059	0.554	15	119.0756	0.343	23	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	118.3790	0.000	1	119.0756	0.343	23	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(CCS)	118.3430	0.000	1	118.4563	0.048	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CCS)	118.5130	0.279	2	118.4563	0.048	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CHO)	119.5260	1.360	3	119.5260	1.849	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.0080	0.000	1	121.0080	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.0890	0.812	2	119.2258	0.188	11	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.2562	0.384	9	119.2258	0.188	11	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	119.3805	0.059	2	119.3805	0.003	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.0540	0.246	3	119.2809	0.293	29	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.1917	0.494	26	119.2809	0.293	29	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CH3)(CNO)	118.8615	0.015	2	118.8615	0.000	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.8388	0.289	5	119.8388	0.084	5	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CHN)	119.9545	0.725	2	119.9545	0.525	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CIrN)	121.9095	0.139	2	121.9095	0.019	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CRhN)	121.6830	0.000	1	121.6830	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.2420	0.000	1	121.2420	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	121.9500	0.000	1	121.9500	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	120.9235	0.828	2	120.9235	0.686	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	120.1890	0.000	1	120.1890	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(CCCH)(CCO)	118.5740	0.000	1	118.5740	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCCH)(CCO)	120.4930	0.000	1	120.4930	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCCH)(CHO)	120.3170	0.000	1	120.3170	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.8038	0.445	11	119.8038	0.198	11	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	120.1587	0.268	3	120.1587	0.072	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	120.9320	0.000	1	120.9320	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.2830	0.000	1	119.2830	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	118.9870	0.000	1	118.9870	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.2105	0.445	2	119.2105	0.198	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	118.5390	0.000	1	118.5390	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.6860	0.000	1	119.6860	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	118.9730	0.000	1	119.8558	0.420	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9819	0.584	7	119.8558	0.420	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(COS)	119.2480	0.000	1	119.2480	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.0958	0.759	6	119.0958	0.576	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CAlHH)(CCH)	120.9655	1.706	2	120.9655	2.911	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(COO)	120.2485	0.215	4	120.2485	0.046	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCH)	120.1120	0.444	4	120.1120	0.197	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	120.2670	0.378	4	120.0215	0.361	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(CCO)	120.0165	1.455	2	120.0215	0.361	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	119.8595	0.454	6	120.0215	0.361	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(COO)	119.6783	0.995	4	119.6783	0.990	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.4010	0.000	1	119.9300	0.627	46	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.9285	0.893	4	119.9300	0.627	46	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.9093	0.772	40	119.9300	0.627	46	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.2940	0.000	1	119.9300	0.627	46	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CHH)	121.8660	0.000	1	121.8660	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHN)	119.6505	1.305	6	119.6505	1.702	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHO)	120.3580	0.578	2	120.3580	0.335	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CNN)	120.6823	0.950	4	120.6823	0.903	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CNO)	119.9938	1.083	4	119.8906	0.427	10	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CNO)	119.8218	0.227	6	119.8906	0.427	10	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CNS)	120.1795	0.330	2	120.1795	0.109	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CSS)	119.4992	0.851	6	119.4992	0.724	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	119.9020	2.239	2	119.9020	5.012	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	120.3113	0.298	8	120.3113	0.089	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	119.8175	0.494	2	119.8175	0.244	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	119.2900	0.000	1	119.5480	0.135	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	119.6770	0.413	2	119.5480	0.135	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	120.6103	0.297	4	120.6103	0.088	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	120.1940	0.167	2	120.1940	0.028	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	120.7900	2.077	2	120.7900	4.316	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	120.4995	1.336	4	120.4995	1.784	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	120.2770	0.554	2	120.2770	0.307	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.8070	0.557	2	119.9601	0.648	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	120.0112	0.912	6	119.9601	0.648	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	119.8690	0.018	2	119.8690	0.000	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	121.1260	0.000	1	120.6827	0.312	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	120.4610	0.574	2	120.6827	0.312	3	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.4720	0.989	2	119.8980	0.397	20	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.8460	0.472	4	119.8980	0.397	20	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.8358	0.706	10	119.8980	0.397	20	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.7795	0.572	2	119.8980	0.397	20	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.8575	0.593	2	119.8980	0.397	20	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	119.8665	1.667	2	119.8665	2.778	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	119.5303	0.638	6	119.5303	0.407	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	119.7280	0.455	2	119.7280	0.207	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	120.1140	1.079	2	120.1140	1.164	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.7860	0.048	2	119.7860	0.002	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	119.7480	0.280	2	119.7480	0.078	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	119.9003	0.613	6	119.9003	0.376	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CErNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CErNO)(CNO)	119.7957	0.853	4	119.7957	0.728	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CFeCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CFeCC)(CCO)	119.8625	2.222	2	119.8625	4.939	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCH)	120.5605	0.199	2	120.8095	0.963	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(CCH)	120.9470	1.103	2	120.8095	0.963	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(CCH)	120.7925	1.085	4	120.8095	0.963	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCH)	120.0530	0.379	2	120.8095	0.963	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCH)	121.7115	1.653	2	120.8095	0.963	12	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCN)	119.3900	0.296	2	119.3900	0.087	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.9393	0.987	6	119.8762	0.433	82	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.6105	0.077	2	119.8762	0.433	82	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.8875	0.383	2	119.8762	0.433	82	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.8780	0.649	72	119.8762	0.433	82	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CHH)	121.4445	0.676	6	121.4445	0.457	6	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CHN)	119.3650	0.318	2	119.3650	0.101	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CHO)	120.1975	0.298	2	120.3263	0.289	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CHO)	120.4550	0.844	2	120.3263	0.289	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(CNN)	119.3362	0.879	6	120.0593	1.046	22	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNN)	120.3304	0.959	16	120.0593	1.046	22	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.9030	0.000	1	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.6679	0.926	8	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.4640	0.824	4	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.3555	1.336	4	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9123	0.879	16	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.1339	0.716	8	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9296	0.528	7	120.1812	0.739	48	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNS)	119.9101	0.714	30	119.9101	0.509	30	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(COS)	120.5680	0.000	1	119.7639	0.296	15	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(COS)	119.7064	0.516	14	119.7639	0.296	15	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CSS)	119.8285	0.782	8	119.8285	0.611	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CHHS)(CHS)	120.8755	0.497	2	120.8755	0.247	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHOS)(CIrS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHOS)(CIrS)	120.0275	0.503	2	120.0275	0.253	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNOY)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNOY)(CNO)	119.7860	1.296	4	119.7860	1.679	4	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CYbNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CYbNO)(CNO)	119.5705	1.186	2	119.5705	1.406	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CHH)	119.9620	0.000	1	119.9620	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.4245	0.144	2	119.4245	0.021	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	119.5840	0.000	1	119.5840	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.5320	0.000	1	119.5320	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.4510	1.067	8	119.4510	1.138	8	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	116.4010	0.395	2	116.4010	0.156	2	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.7320	0.000	1	118.7320	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CHO)	116.7320	0.000	1	116.7320	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNN)	117.2970	0.000	1	117.2970	0.000	1	119.7303	1.045	677	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	117.2760	0.000	1	117.2760	0.000	1	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(NOO)	117.4040	0.000	1	117.4040	0.000	1	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(NPdC)	120.0660	4.525	2	120.0660	20.480	2	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	121.0440	0.000	1	119.9388	0.583	6	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	120.3570	0.000	1	119.9388	0.583	6	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	119.3740	0.522	2	119.9388	0.583	6	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	119.7420	0.728	2	119.9388	0.583	6	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	118.2850	0.000	1	118.2850	0.000	1	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	118.0920	0.000	1	118.0920	0.000	1	119.2352	3.377	12	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	115.6050	0.000	1	115.6050	0.000	1	115.6050	0.000	1	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	115.6403	0.081	3	115.6403	0.007	3	119.4636	2.198	26	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	119.7480	0.000	1	119.7480	0.000	1	119.4636	2.198	26	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	119.9763	0.529	20	119.9763	0.280	20	119.4636	2.198	26	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	119.9300	0.035	2	119.9300	0.001	2	119.4636	2.198	26	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Cl-4:C-3:	C[6a](C[6a]C[6a]H)2(NClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	120.1725	0.359	2	120.1725	0.129	2	120.1725	0.129	2	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:C-3:	C[6a](C[6a]C[6a]H)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	119.7095	1.047	2	119.7095	1.097	2	119.4828	1.906	6	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:C-3:	C[6a](C[6a]C[6a]H)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GaCl2N)(CCC)	119.3695	1.661	4	119.3695	2.760	4	119.4828	1.906	6	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:C-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	120.6490	3.449	2	120.6490	11.897	2	120.6490	11.897	2	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:B-3:	C[6a](C[6a]C[6a]H)2(NBP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[5a]CC)(BC[6a]Rh)	C[6a](C[6a]C[6a]H)2(NBP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[5a]CC)(BC[6a]Rh)	120.8465	0.814	4	120.8465	0.662	4	120.8465	0.662	4	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-3:	C[6a](C[6a]C[6a]H)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)(COO)	119.7305	2.129	2	119.7305	4.533	2	119.7065	1.572	4	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-3:	C[6a](C[6a]C[6a]H)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PFeOO)(CCC)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PFeOO)(CCC)	119.6825	0.424	2	119.6825	0.179	2	119.7065	1.572	4	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ni)(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ni)(NC[6a]P)	120.1680	2.027	4	120.1680	4.109	4	120.2602	3.152	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(NC[6a]P)	120.1820	2.103	4	120.1820	4.423	4	120.2602	3.152	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pt)(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pt)(NC[6a]P)	120.2963	2.249	4	120.2963	5.057	4	120.2602	3.152	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PO3)(NCH)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(NCH)	120.5290	0.052	2	120.5290	0.003	2	120.2602	3.152	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CCC)	118.1430	0.000	1	117.9690	0.061	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CCC)	117.7950	0.000	1	117.9690	0.061	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	118.9220	0.000	1	118.4673	0.155	3	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	118.2400	0.000	2	118.4673	0.155	3	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	118.6265	1.453	2	118.6265	2.112	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	119.6200	0.000	1	119.6200	0.000	1	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(CCO)	118.7740	0.000	1	118.6765	0.019	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(CCO)	118.5790	0.000	1	118.6765	0.019	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	119.2990	0.000	1	119.2990	0.000	1	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	119.3020	0.148	3	119.3020	0.022	3	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CCN)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(CCN)	120.0635	0.663	2	120.0635	0.439	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	119.5160	1.778	2	119.5160	3.160	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	120.3850	3.388	2	120.3850	11.482	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	119.3840	0.725	2	119.3840	0.526	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	119.3812	0.700	16	119.3812	0.491	16	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	119.8965	2.615	4	119.8965	6.841	4	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	120.2470	2.826	2	120.2470	7.984	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	119.4280	0.311	2	119.4280	0.097	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	120.0225	0.578	2	120.0225	0.334	2	119.3864	1.479	48	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:N-3:	C[6a](C[6a]C[6a]H)2(NSiN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NSiN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	120.7820	0.860	4	120.7820	0.740	4	120.7820	0.740	4	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.4987	1.138	3	120.4987	1.295	3	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.1150	0.000	1	121.1150	0.000	1	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(CCO)	121.0600	0.000	1	121.0600	0.000	1	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	121.2710	0.000	1	121.2710	0.000	1	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.0360	0.000	1	121.0360	0.000	1	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.6640	0.000	1	121.6515	0.000	2	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.6390	0.000	1	121.6515	0.000	2	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	121.2385	0.268	2	121.2385	0.072	2	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.9060	0.238	2	121.1100	0.153	3	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.5180	0.000	1	121.1100	0.153	3	121.0777	0.364	14	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	120.8500	0.499	4	120.8500	0.249	4	121.0720	0.433	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.9600	0.000	1	121.9600	0.000	1	121.0720	0.433	5	119.7710	1.261	849	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[4,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[4,6a]C[6a])(CCHH)2	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[4,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[4,6a]C[6a])(CCHH)2	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)2	123.2573	0.305	3	123.2573	0.093	3	123.0080	0.817	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CH3)2	124.0390	0.000	1	124.0390	0.000	1	123.0080	0.817	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(CCHH)2	122.8490	0.000	1	122.8490	0.000	1	123.0080	0.817	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	121.3880	0.000	1	121.3880	0.000	1	123.0080	0.817	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(CH3)2	119.4970	0.000	1	119.4970	0.000	1	120.7495	3.138	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N(C[6a]C[6,6a]C[6a])(CH3)2	122.0020	0.000	1	122.0020	0.000	1	120.7495	3.138	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	117.2790	0.000	1	117.5210	0.116	3	117.5210	0.116	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	117.6420	0.379	2	117.5210	0.116	3	117.5210	0.116	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.3830	0.000	1	120.6365	10.157	2	120.6365	10.157	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a,6a]N)(H){2|C<4>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.8900	0.000	1	120.6365	10.157	2	120.6365	10.157	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.1180	0.000	1	120.1180	0.000	1	120.1180	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NSS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)2(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.3030	0.273	3	122.3030	0.074	3	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.7190	0.000	1	122.8600	0.703	4	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.2300	0.000	1	122.8600	0.703	4	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.2455	0.692	2	122.8600	0.703	4	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.9515	0.702	2	121.9515	0.493	2	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	120.2120	0.000	1	120.2120	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	122.5950	0.000	1	122.5950	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.3500	0.182	2	122.3500	0.033	2	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|B<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.0850	0.000	1	120.0850	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(CH3)	120.3960	0.000	1	120.3960	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	118.7430	0.000	1	123.7860	50.864	2	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)2	128.8290	0.000	1	123.7860	50.864	2	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]CH)(CCHH)	122.5020	0.000	1	122.5020	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	122.5640	0.000	1	122.5640	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6196	1.015	17	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.5780	0.116	2	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.3385	1.438	11	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	124.2608	1.855	9	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	124.5060	0.000	1	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.6627	0.485	3	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.1911	0.462	24	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.6050	1.182	2	122.1457	3.312	69	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.9210	0.000	1	120.9210	0.000	1	122.1556	3.404	89	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)(CHHP)	119.6355	0.197	2	119.6355	0.039	2	119.6355	0.039	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NPP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NPP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Cr)2	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NSS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	121.0060	0.000	1	121.0060	0.000	1	121.6260	0.769	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NSS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)2	122.2460	0.000	1	122.2460	0.000	1	121.6260	0.769	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.9450	0.000	1	119.9450	0.000	1	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2610	0.598	2	121.2610	0.358	2	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)2	121.0870	0.000	1	121.0870	0.000	1	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1610	0.000	1	121.2480	0.190	5	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	122.0200	0.000	1	121.2480	0.190	5	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.0350	0.000	2	121.2480	0.190	5	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9890	0.000	1	121.2480	0.190	5	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.1255	0.098	2	120.1255	0.010	2	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	120.5580	0.000	1	120.5580	0.000	1	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)2(NCC)	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[5,6a]H)2(NCC){1|C<3>,2|P<4>}	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	119.6860	0.000	1	119.6860	0.000	1	120.7915	0.465	13	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	120.6600	0.000	1	120.6600	0.000	1	121.5760	2.133	11	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.9000	0.000	1	122.3601	0.173	8	121.5760	2.133	11	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2830	0.383	7	122.3601	0.173	8	121.5760	2.133	11	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	118.8975	0.074	2	118.8975	0.006	2	121.5760	2.133	11	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(CH3)2	122.2350	0.000	1	122.2350	0.000	1	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.7260	0.000	1	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.5890	0.000	1	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CH3)2	121.1415	1.539	2	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4550	0.000	1	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.8490	0.000	1	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9350	0.000	1	121.6910	0.699	7	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.5820	0.000	1	121.5820	0.000	1	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.7937	0.808	6	120.7937	0.653	6	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|B<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.1920	0.484	9	121.5345	0.391	152	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.5787	0.632	118	121.5345	0.391	152	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	120.7865	0.438	2	121.5345	0.391	152	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.5068	0.596	23	121.5345	0.391	152	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2970	0.076	3	121.2339	0.049	8	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5360	0.000	1	121.2339	0.049	8	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1110	0.235	4	121.2339	0.049	8	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5470	0.010	2	121.5470	0.000	2	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.5202	1.166	10	120.7020	0.833	19	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9040	0.507	9	120.7020	0.833	19	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCHH)2	122.6827	0.598	3	122.3678	0.635	4	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.4230	0.000	1	122.3678	0.635	4	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CH3)2	122.3088	0.717	4	122.2115	0.350	6	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.0170	0.311	2	122.2115	0.350	6	121.4694	0.527	206	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4670	0.000	1	121.9833	0.201	3	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2415	0.045	2	121.9833	0.201	3	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.6800	0.000	1	121.6800	0.000	1	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.0155	0.064	2	122.2511	0.147	16	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2827	0.554	3	122.2511	0.147	16	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2853	0.382	11	122.2511	0.147	16	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.5199	0.386	61	121.5199	0.149	61	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.0809	0.376	30	121.0809	0.142	30	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.4520	0.000	1	121.4520	0.000	1	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	124.4190	0.000	1	124.4190	0.000	1	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)2(NCC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a,6a]H)2(NCC){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.3305	0.383	4	121.3305	0.147	4	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)2(NCC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)2(NCC){3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9083	0.938	4	120.9083	0.880	4	121.5175	0.365	121	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS){1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(SCOO)(CH3)	119.1750	0.000	1	119.1750	0.000	1	119.2357	0.383	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.8830	0.000	1	119.2660	0.761	2	119.2357	0.383	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.6490	0.000	1	119.2660	0.761	2	119.2357	0.383	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	124.4030	0.000	1	122.2695	9.104	2	122.2695	9.104	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	120.1360	0.000	1	122.2695	9.104	2	122.2695	9.104	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:B-4:S-4:	C[6a](C[6a]C[6a]F)2(NBS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	C[6a](C[6a]C[6a]F)2(NBS){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	121.6355	0.356	2	121.6355	0.127	2	121.6355	0.127	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.0530	0.000	1	121.0530	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	124.5210	0.283	2	124.5210	0.080	2	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	123.4900	0.000	1	123.4900	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	118.4370	0.092	2	118.4370	0.008	2	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	124.0950	0.000	1	124.0950	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	124.5980	0.000	1	124.5980	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.5040	0.000	1	121.5040	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)2(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(F){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.1790	3.342	2	120.1790	11.168	2	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CH3)2	122.8805	0.005	2	122.8123	2.918	8	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.7895	2.021	6	122.8123	2.918	8	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CHHS)2	122.7370	0.720	2	122.7370	0.518	2	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F)	N(C[6a]C[6a]2)(CRhHH)(CH3)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]F)(NCC){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]F)(F){1|Rh<8>,1|C<3>}	N(C[6a]C[6a]2)(CRhHH)(CH3)	127.2000	0.000	1	127.2000	0.000	1	122.5539	5.623	22	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	120.8960	0.117	2	121.0187	0.052	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.2640	0.000	1	121.0187	0.052	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.6080	0.000	1	120.8968	0.308	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.5570	0.000	1	120.8968	0.308	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.3490	0.000	1	120.8968	0.308	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.3245	0.434	4	120.8968	0.308	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.6295	0.722	2	120.8968	0.308	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)2	121.4670	0.000	1	121.4670	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.6215	0.434	8	120.6215	0.188	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)2	119.4520	0.000	1	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.4232	0.697	116	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)2	121.1995	0.265	2	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	120.9089	0.692	33	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.2203	0.726	3	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	122.3150	0.000	1	121.3007	0.539	156	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.7030	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.8540	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.2450	1.041	6	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3387	0.038	3	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1390	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0150	0.394	4	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|P<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9830	0.921	2	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.0898	0.947	10	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.7152	0.536	9	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.2390	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	120.8790	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9520	0.000	1	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0392	0.402	4	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.6460	0.250	2	121.1100	0.621	46	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.6385	0.360	2	121.6187	0.066	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5790	0.000	1	121.6187	0.066	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	119.4100	0.000	1	119.4100	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CH3)2	118.3135	0.736	2	118.3135	0.542	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.1425	0.455	61	121.1443	0.204	62	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.2570	0.000	1	121.1443	0.204	62	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.3087	0.413	30	120.7423	0.757	49	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	120.2510	0.000	1	120.7423	0.757	49	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.8257	0.613	18	120.7423	0.757	49	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1813	0.531	4	121.7499	0.701	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.0990	1.059	2	121.7499	0.701	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.5380	0.397	2	121.7499	0.701	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<2>,1|N<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.7610	0.000	1	120.7610	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2840	0.000	1	122.2840	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(CH3)	117.0265	0.491	2	117.0265	0.242	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	120.2210	0.000	1	120.2210	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2150	0.000	1	121.2150	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<2>}	N(C[6a]C[6a]2)(CCCH)(CH3)	120.9860	0.000	1	119.0495	7.500	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(CH3)	117.1130	0.000	1	119.0495	7.500	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	119.0360	0.000	1	119.0360	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	118.1910	0.000	1	118.1910	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	123.7300	0.000	1	123.7300	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	116.1450	0.000	1	116.1450	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.1790	0.000	1	117.4548	0.150	5	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.6640	0.367	3	117.4548	0.150	5	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.1030	0.000	1	117.4548	0.150	5	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	117.0530	0.000	1	117.0530	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3480	0.686	2	121.8731	1.777	7	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<5>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.8515	0.726	2	121.8731	1.777	7	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<2>}	N(C[6a]C[6a]2)(CH3)2	119.8280	0.000	1	121.8731	1.777	7	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)2	123.3870	0.000	1	121.8731	1.777	7	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	123.4980	0.000	1	121.8731	1.777	7	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	120.6150	0.000	1	120.6150	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)2	122.7710	0.000	1	121.9177	0.556	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4910	0.143	2	121.9177	0.556	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N)(H){1|C<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.6615	0.490	2	119.6615	0.240	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.0230	0.000	1	120.0230	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	123.5600	0.000	1	123.5600	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CH3)2	120.6750	0.000	1	120.6750	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.2800	0.000	1	121.2800	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.3660	0.000	1	122.3660	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)2	124.7250	0.000	1	124.7250	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	123.0870	0.000	1	123.1815	0.018	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	123.2760	0.000	1	123.1815	0.018	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	120.8850	3.480	2	120.8850	12.113	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	123.5960	0.000	1	123.5960	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	122.2550	0.000	1	121.2983	0.901	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	120.8200	0.655	2	121.2983	0.901	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	123.0760	0.000	1	121.7210	3.672	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.3660	0.000	1	121.7210	3.672	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.3440	0.000	1	121.3440	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.0905	0.177	2	121.2282	0.891	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|N<3>,1|N<4>}	N(C[6a]C[6a]2)(CH3)2	123.8990	0.000	1	121.2282	0.891	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.9620	0.495	9	121.2282	0.891	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	120.6780	0.000	1	120.6780	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	121.6147	0.421	3	122.3518	0.631	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	122.5590	0.000	1	122.3518	0.631	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	123.0598	0.332	4	122.3518	0.631	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	121.5240	0.000	1	122.3518	0.631	9	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	123.2650	0.000	1	123.2650	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHO)2	122.7860	0.000	1	122.7860	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	121.4210	0.000	1	121.9475	1.454	28	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	122.7370	0.242	2	121.9475	1.454	28	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)2	121.9054	1.252	25	121.9475	1.454	28	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	122.4390	0.000	1	122.4390	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CH3)2	123.7370	0.000	1	123.6690	0.009	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<4>}	N(C[6a]C[6a]2)(CH3)2	123.6010	0.000	1	123.6690	0.009	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	122.3180	0.000	1	122.3180	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(CH3)2	121.8240	0.000	1	121.8240	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2360	0.563	2	121.2360	0.317	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.7390	0.000	1	120.9370	0.801	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.5600	0.000	1	120.9370	0.801	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.7245	1.235	2	120.9370	0.801	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>,2|O<2>}	N(C[6a]C[6a]2)(CH3)2	122.3680	0.000	1	122.3680	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Bi<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.9605	0.497	2	121.9605	0.247	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.2295	0.943	4	121.2295	0.890	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.0810	0.000	2	121.7603	0.308	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.1190	0.000	1	121.7603	0.308	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	120.4530	0.000	1	120.4530	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.7670	0.000	1	121.7670	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.3985	0.216	2	121.5923	0.136	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.9800	0.000	1	121.5923	0.136	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3190	0.000	1	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.3385	0.614	2	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.2675	0.185	4	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	121.0800	0.874	2	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1557	0.276	4	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3918	0.385	4	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.7060	0.376	2	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.6360	0.000	1	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.2705	0.295	2	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.9414	1.429	7	121.1584	0.563	29	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	121.1000	0.000	1	121.1000	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	120.1060	0.000	1	120.1060	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	120.3050	0.000	1	120.3050	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.3130	0.000	1	121.3130	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	121.4077	3.180	4	121.3263	6.083	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	121.1635	0.078	2	121.3263	6.083	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	122.8840	0.000	1	122.8840	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)2	121.4578	2.201	4	121.4578	4.843	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.9500	0.000	1	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.0487	0.879	6	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.6710	0.822	2	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.7167	1.157	18	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.5371	0.680	8	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.2275	0.050	2	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.7787	0.668	14	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.8790	0.000	1	121.6542	0.833	52	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.5300	0.000	1	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	122.2870	0.000	1	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.5300	0.310	2	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.2278	0.583	92	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.3077	0.753	3	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.4140	0.290	2	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.8406	0.473	18	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)2	121.5599	0.518	50	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	121.7063	1.191	20	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	121.2670	0.893	8	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CCHH)2	121.7765	0.473	2	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.3829	0.899	23	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.5038	0.451	6	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.7119	0.633	288	121.5880	0.459	516	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	121.2350	0.000	1	121.7883	0.461	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	121.6185	0.473	2	121.7883	0.461	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	122.6810	0.000	1	121.7883	0.461	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)2	120.8310	2.678	4	120.8310	7.170	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CCHH)	121.1495	0.420	4	121.1495	0.176	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CC[5]HH)	121.1875	0.192	2	121.1875	0.037	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]HH)	121.4700	2.755	2	121.4700	7.589	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	121.9915	0.691	2	121.8430	0.221	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	121.6945	0.312	2	121.8430	0.221	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	121.4553	1.180	4	121.3468	0.904	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CHHN)	121.1300	0.451	2	121.3468	0.904	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5a]HH)2	121.4335	0.964	2	121.4335	0.929	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	121.6175	0.238	2	121.6175	0.057	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCCH)	121.4160	1.734	2	121.4160	3.006	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	121.5932	1.162	4	121.5244	0.489	16	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	121.4687	0.765	6	121.5244	0.489	16	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	121.3755	0.042	4	121.5244	0.489	16	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	121.8515	0.142	2	121.5244	0.489	16	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	120.9495	0.346	2	120.9495	0.120	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]HH)	120.8522	0.834	4	120.8522	0.696	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	121.2395	0.401	2	121.4128	0.646	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	121.4567	0.996	4	121.4128	0.646	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]HH)	121.4980	1.141	2	121.4128	0.646	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	121.4719	0.659	10	121.4719	0.434	10	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	120.5700	0.133	2	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	120.9780	0.000	1	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.6081	0.633	8	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	122.6530	1.484	2	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.4758	0.762	6	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	120.7805	2.596	2	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.3487	0.440	8	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.1510	0.498	26	121.2985	0.539	55	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CGeHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CGeHH)(CH3)	121.5915	1.957	2	121.5915	3.828	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9570	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	120.7270	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.0300	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Bi<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.8110	0.803	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.1800	0.000	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9980	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.3290	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5405	0.732	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.4150	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.2340	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0170	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.3140	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3435	0.467	4	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9555	0.225	6	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.2490	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9945	0.062	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4156	0.761	190	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.5213	0.561	162	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.4168	0.554	89	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.4261	0.597	117	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CH3)2	121.4535	0.138	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	121.4915	0.370	11	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)2	121.5739	0.765	95	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CH3)2	121.9755	0.008	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CH3)2	121.3285	0.163	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3915	0.431	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4946	0.509	1188	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.5260	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4530	0.349	13	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4228	0.380	6	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3898	3.781	12	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.5345	0.449	4	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9650	0.116	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0220	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.5335	0.422	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	121.3970	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.7710	1.288	7	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.2225	0.301	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.5750	0.102	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2510	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.4308	0.655	5	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.3793	1.350	3	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3110	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.1520	0.000	1	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Te<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.3480	0.129	2	121.4824	0.403	1954	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHN)2	120.9840	0.170	2	120.9840	0.029	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.2075	0.609	6	121.3665	0.503	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.3880	1.554	2	121.3665	0.503	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.6955	0.571	2	121.3665	0.503	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.6200	0.000	1	121.3665	0.503	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	120.1280	0.000	1	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)2	121.7520	1.657	2	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)2	120.8957	1.973	4	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHHP)2	122.1130	0.554	2	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	121.0306	1.467	10	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)2	121.2371	1.228	78	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	121.3512	1.269	4	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	121.4610	0.000	1	121.2265	1.578	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	120.9820	0.727	2	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	121.2062	0.615	6	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	121.3595	1.083	2	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CHHS)2	121.0165	0.363	2	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CHHS)2	120.9468	0.484	6	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHS)2	121.1277	0.734	8	121.1022	0.362	26	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)(CH3)	121.4895	0.947	2	121.4895	0.896	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	120.8715	3.122	2	120.8715	9.746	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CSeHH)2	121.2055	0.586	2	121.1493	0.132	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CSeHH)2	121.0720	0.206	2	121.1493	0.132	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CSeHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CSeHH)2	121.1705	0.503	2	121.1493	0.132	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.6970	0.000	1	121.6875	0.000	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.6780	0.000	1	121.6875	0.000	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.6210	1.201	2	121.3097	1.012	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ir<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.6870	0.000	1	121.3097	1.012	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.4910	0.000	1	121.2561	0.393	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.9985	0.019	2	121.2561	0.393	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.2931	0.625	92	121.2561	0.393	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	120.8423	0.922	3	121.2561	0.393	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.0353	0.533	4	121.2561	0.393	102	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	120.4740	0.226	2	120.4740	0.051	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0085	0.475	4	121.0002	0.360	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.1032	0.206	6	121.0002	0.360	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.6750	1.672	2	121.0002	0.360	12	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	122.1520	0.000	1	122.1520	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	120.2230	0.000	1	120.2230	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.7400	0.000	1	121.7400	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.9240	0.635	2	122.3439	0.609	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	122.4372	0.811	9	122.3439	0.609	11	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.1709	0.485	101	122.1880	0.246	105	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Se<2>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.6190	0.650	4	122.1880	0.246	105	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	121.9040	0.000	1	121.9040	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.8905	0.810	2	121.1466	0.585	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.1970	0.000	1	121.1466	0.585	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.9820	0.000	1	121.1466	0.585	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.8032	0.588	4	121.1466	0.585	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	122.9255	0.477	2	122.9255	0.228	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	120.5812	0.763	5	120.4188	0.888	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.1480	1.330	3	120.4188	0.888	8	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.7740	0.000	1	121.7740	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2060	0.000	1	121.2060	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.4540	0.590	4	120.4540	0.348	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Te<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.7480	0.344	2	121.7480	0.118	2	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Se<2>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.8432	0.244	4	121.8677	0.057	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){2|Se<2>,1|N<2>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.9165	0.317	2	121.8677	0.057	6	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.4700	0.000	1	120.4700	0.000	1	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.1890	0.732	3	121.1890	0.536	3	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.8710	0.035	4	121.8710	0.001	4	121.4541	0.624	3601	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Nb-4:	C[6a](C[6a]C[6a]H)2(NNbC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(NbN3)	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(NbN3)	120.5225	0.407	6	120.5225	0.165	6	120.5225	0.165	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	118.6740	0.000	1	118.6740	0.000	1	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.4140	0.000	1	119.4140	0.000	1	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.3930	0.000	1	118.6920	0.983	2	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	117.9910	0.000	1	118.6920	0.983	2	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	120.2630	0.000	1	120.2630	0.000	1	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	120.3190	0.602	3	120.3190	0.362	3	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.0017	1.037	3	119.0017	1.075	3	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.4325	0.112	2	119.4325	0.013	2	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	120.1990	0.859	4	120.1990	0.738	4	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	120.3410	1.226	2	120.3410	1.503	2	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]CH)(SC[6a]OO)	119.6467	0.601	4	119.6467	0.361	4	119.6794	0.760	23	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CErNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CErNN)(SiC3)	121.5348	1.299	4	121.5348	1.687	4	121.3685	1.502	10	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNNY)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNNY)(SiC3)	121.2885	0.063	2	121.2885	0.004	2	121.3685	1.502	10	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CYbNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CYbNN)(SiC3)	121.4155	1.216	2	121.4155	1.477	2	121.3685	1.502	10	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Si-4:	C[6a](C[6a]C[6a]H)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CZrCN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CZrCN)(SiC3)	121.0690	2.582	2	121.0690	6.669	2	121.3685	1.502	10	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:S-4:	C[6a](C[6a]C[6a]H)2(NC[4]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[4]C[4]2H)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[4]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[4]C[4]2H)(SCOO)	119.5100	0.556	2	119.5100	0.309	2	119.5100	0.309	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	121.2745	2.944	2	121.2745	8.665	2	121.2744	1.565	8	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	121.2743	0.677	6	121.2743	0.458	6	121.2744	1.565	8	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	119.4950	0.000	1	119.2140	0.158	2	119.2140	0.158	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	118.9330	0.000	1	119.2140	0.158	2	119.2140	0.158	2	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	125.6210	0.236	3	125.6210	0.056	3	122.4195	4.747	15	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:C-4:	C[6a](C[6a]C[6a]H)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	121.6192	1.593	12	121.6192	2.537	12	122.4195	4.747	15	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(InNiNN)(CHHP)	124.6673	0.751	3	124.6673	0.565	3	124.6673	0.565	3	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Nb-4:C-4:	C[6a](C[6a]C[6a]H)2(NNbC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NbNNP)(CCHH)	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NbNNP)(CCHH)	120.5148	1.011	6	120.5148	1.022	6	120.5148	1.022	6	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	119.1647	0.962	3	119.1647	0.926	3	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	119.5465	0.757	4	119.5465	0.573	4	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCoCC)(CH3)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PCoCC)(CH3)	121.6560	0.679	4	121.7224	0.379	15	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCoCC)(CH3)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PCoCC)(CH3)	121.8392	0.658	9	121.7224	0.379	15	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCoCC)(CH3)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PCoCC)(CH3)	121.3295	0.128	2	121.7224	0.379	15	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]H)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	120.2280	1.016	4	120.2280	1.032	4	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]H)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(CH3)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(CH3)	120.3211	0.719	7	120.3211	0.516	7	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PIrCC)(CCHH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PIrCC)(CCHH)	123.8540	0.420	2	123.8540	0.176	2	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PIrCC)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PIrCC)(CH3)	122.7000	0.000	1	121.4032	2.136	4	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PIrCC)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PIrCC)(CH3)	122.6320	0.000	1	121.4032	2.136	4	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PIrCC)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PIrCC)(CH3)	120.1405	0.165	2	121.4032	2.136	4	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNiCC)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PNiCC)(CH3)	121.7953	0.643	16	121.7639	0.373	18	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNiCC)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(PNiCC)(CH3)	121.5125	0.025	2	121.7639	0.373	18	121.2236	1.511	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Se)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2Se)2	120.3190	0.000	1	120.3190	0.000	1	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ti)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2Ti)2	120.5990	0.605	2	120.5990	0.366	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Fe)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NPP){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Fe)2	119.6720	0.000	1	119.6720	0.000	1	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ag)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2Ag)2	120.6195	1.276	6	120.1714	0.787	18	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ag)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2Ag)2	120.1920	0.472	6	120.1714	0.787	18	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ag)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ag)2	119.7027	0.566	6	120.1714	0.787	18	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Fe)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2Fe)2	120.6505	0.618	4	120.6505	0.381	4	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ir)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2Ir)2	120.3805	1.668	2	120.3805	2.782	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Mo)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Mo)2	120.8953	0.521	4	120.8953	0.272	4	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ni)(PC[6a]2S)	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2Ni)(PC[6a]2S)	120.3132	0.953	4	120.3132	0.908	4	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ni)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2Ni)2	120.1262	0.563	4	120.1262	0.317	4	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(PC[6a]2S)	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(PC[6a]2S)	120.2035	0.112	2	120.2035	0.013	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PC[6a]2Pd)2	120.3950	0.000	1	120.3950	0.000	1	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Rh)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2Rh)2	120.3650	1.379	2	120.3650	1.901	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ru)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PC[6a]2Ru)2	121.3540	2.133	2	121.3540	4.548	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2S)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(PC[6a]2S)2	120.3565	0.083	2	120.3565	0.007	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCuOO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PCuOO)2	119.6947	0.323	6	119.5985	0.236	14	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PCuOO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PCuOO)2	119.5264	0.592	8	119.5985	0.236	14	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PMoFO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PMoFO)2	119.8045	0.668	2	119.8045	0.447	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)2	119.6587	0.727	4	119.6587	0.529	4	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(POOS)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(POOS)2	119.2045	0.395	2	119.2045	0.156	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PRhOO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PRhOO)2	120.3235	0.151	2	120.3235	0.023	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PSeOO)2	C[6a](C[6a]C[6a]H)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(PSeOO)2	119.3855	0.391	2	119.3855	0.153	2	120.1117	0.672	75	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	118.9110	0.000	1	118.9110	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CC3)	119.1830	0.000	1	119.1830	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CH3)	118.8660	0.171	2	118.8660	0.029	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.9645	0.454	6	119.7166	1.071	15	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.2860	0.000	1	119.7166	1.071	15	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.4120	0.000	1	119.7166	1.071	15	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.1806	1.200	7	119.7166	1.071	15	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	119.1280	0.000	1	119.1280	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	119.9215	0.243	2	119.9215	0.059	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.1563	0.432	3	119.0670	1.584	6	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	117.8980	0.000	1	119.0670	1.584	6	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.0175	0.646	2	119.0670	1.584	6	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	119.2330	0.000	1	120.6305	3.906	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	122.0280	0.000	1	120.6305	3.906	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.6707	1.877	4	119.6707	3.524	4	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	120.7995	0.319	2	120.7995	0.102	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.3400	0.000	1	119.3400	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.2010	0.000	1	119.9135	0.165	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.6260	0.000	1	119.9135	0.165	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.4990	0.000	1	119.4990	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.9170	0.000	1	120.4120	2.622	10	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.3320	0.000	1	120.4120	2.622	10	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.5280	2.342	2	120.4120	2.622	10	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.2253	2.132	4	120.4120	2.622	10	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.9570	1.672	2	120.4120	2.622	10	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	119.9740	0.642	2	119.9740	0.412	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.5140	0.000	1	118.5140	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	119.5810	0.000	1	119.5810	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	120.3710	0.000	1	120.3710	0.000	1	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	119.7400	0.000	2	119.7400	0.000	2	119.7749	1.394	57	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	117.1520	0.809	2	118.1310	1.536	4	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.1100	0.348	2	118.1310	1.536	4	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)2	118.4770	0.000	1	118.4770	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)2	118.2420	0.000	1	118.2420	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.3930	0.000	1	119.3930	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)2	118.2330	0.000	1	118.2330	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NSS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)2	120.9130	0.000	1	120.9130	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	122.6480	0.000	1	122.6480	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)2	118.9310	0.000	1	118.9537	0.001	3	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)2	118.9650	0.044	2	118.9537	0.001	3	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[5a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)2	119.7930	0.000	1	119.7930	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.8170	0.000	1	119.3880	0.212	9	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.3753	0.221	3	119.3880	0.212	9	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.3098	0.587	5	119.3880	0.212	9	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[5a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)2	119.4060	0.000	1	119.4060	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)2(NSS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)2(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.0090	0.000	1	119.0090	0.000	1	119.1996	1.210	25	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(O){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NSS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]2)(O){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	121.3995	0.921	4388	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:5:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:Si-5:	C[6a](C[6a]C[6a]H)2(NSiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2Ir)(SiIrCCN)	C[6a](C[6a]C[6a]H)2(NSiP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ir)(SiIrCCN)	120.4125	0.730	4	120.4125	0.533	4	120.4125	0.533	4	120.4600	0.569	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:5:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:Nb-5:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NNbS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(NbN4)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NNbS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(NbN4)	120.5550	1.103	2	120.5550	1.217	2	120.5550	1.217	2	120.4600	0.569	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:5:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]2CeO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(PN[6]2CeO)(H)	119.9955	0.837	2	119.9955	0.700	2	119.9955	0.700	2	119.9955	0.700	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:5:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Nb-5:C-4:	C[6a](C[6a]C[6a]H)2(NNbC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NbN3O)(CC3)	C[6a](C[6a]C[6a]H)2(NNbC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NbN3O)(CC3)	120.3733	0.691	6	120.3733	0.478	6	120.3733	0.478	6	120.3733	0.478	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:7:7:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-7:C-7:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH6)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CH6)2	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.9920	0.002	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:7:7:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-7:C-7:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH6)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH6)2	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.9920	0.002	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	119.9390	0.000	1	119.9390	0.000	1	120.0320	0.017	2	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.1250	0.000	1	120.1250	0.000	1	120.0320	0.017	2	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	120.0190	0.000	1	120.0190	0.000	1	120.0190	0.000	1	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NB[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	121.3170	1.500	2	121.3170	2.251	2	121.3760	1.129	4	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NB[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	121.4350	1.059	2	121.4350	1.122	2	121.3760	1.129	4	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	118.5120	0.000	1	118.5120	0.000	1	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	117.1050	0.000	1	117.1050	0.000	1	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	121.4090	0.607	2	121.4090	0.368	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	125.1080	0.000	1	125.1080	0.000	1	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	125.1020	0.000	1	125.1020	0.000	1	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	121.8585	1.525	2	121.8585	2.326	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	122.0790	0.000	1	122.0790	0.000	1	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	121.2045	1.630	2	121.2045	2.657	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	121.3890	3.838	2	121.3890	14.732	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	121.3255	2.097	2	120.9923	5.008	12	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	120.9480	1.981	2	120.9923	5.008	12	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	121.3295	3.054	2	120.9923	5.008	12	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	120.7835	2.710	6	120.9923	5.008	12	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]2)(C[6a]C[6a]2)(H)	120.9930	3.844	2	120.9930	14.775	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	120.4900	4.005	2	120.4900	16.040	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]H)(C[6a]C[6a]2)(H)	120.8967	2.587	4	120.8967	6.691	4	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	120.8980	2.258	2	120.8980	5.101	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(CC[6a]C[6]C)(C[6a]C[6a]2)(H)	121.1238	3.587	4	121.1238	12.863	4	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	121.4745	3.632	2	120.8887	4.945	7	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	120.8935	2.189	4	120.8887	4.945	7	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	119.6980	0.000	1	120.8887	4.945	7	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(H)	121.0375	3.265	2	121.0375	10.658	2	121.0974	5.719	48	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	123.7430	1.300	2	123.7430	1.689	2	123.7430	1.689	2	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	123.0780	0.000	1	123.0780	0.000	1	122.2662	8.203	5	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	123.3280	0.257	2	123.3280	0.066	2	122.2662	8.203	5	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5,5]C[5,6a]C[5,5]N[5])(C[6a]C[6a]2)(H)	120.7985	5.052	2	120.7985	25.526	2	122.2662	8.203	5	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)	121.2885	2.365	2	121.2885	5.595	2	121.0428	11.214	6	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5,6]C[5,6]C[5]O[6])(C[6a]C[6a]2)(H)	121.1475	4.878	2	121.1475	23.798	2	121.0428	11.214	6	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(H)	120.6925	5.127	2	120.6925	26.289	2	121.0428	11.214	6	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	116.5060	0.000	1	116.5060	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|C<3>}	N(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	123.4560	0.000	1	123.4560	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	122.8690	0.000	1	122.8690	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	123.9210	0.000	1	123.9210	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	120.7645	1.985	2	120.7645	3.940	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	121.0930	0.205	2	120.9430	0.089	3	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.6430	0.000	1	120.9430	0.089	3	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	115.1600	0.000	1	115.1600	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	124.7190	0.000	1	124.7190	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	119.7630	0.000	1	119.7630	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.0940	0.000	1	123.0940	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.3160	0.000	1	123.3160	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.3400	0.000	1	123.3400	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.4180	0.000	1	123.4180	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	118.9805	0.716	2	120.8030	4.703	4	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	122.2310	0.000	1	120.8030	4.703	4	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.0200	0.000	1	120.8030	4.703	4	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	123.7760	0.000	1	123.7760	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]2)(H)	120.9712	3.701	4	120.9712	13.699	4	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	121.0815	3.280	2	120.9895	11.215	12	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	121.4320	5.904	2	120.9895	11.215	12	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	120.8510	4.308	2	120.9895	11.215	12	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	120.8575	3.424	6	120.9895	11.215	12	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	120.9095	2.784	2	120.9095	7.750	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)	120.4610	3.026	2	120.4610	9.159	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	121.0635	4.460	2	120.4660	12.161	6	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	120.1672	3.645	4	120.4660	12.161	6	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	121.0840	4.316	2	121.0840	18.629	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	122.6190	0.119	2	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	118.5900	0.000	1	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	117.1720	0.000	1	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.9967	2.004	6	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.9188	2.756	4	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.6200	1.589	4	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	118.0490	0.000	1	120.5886	4.570	19	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	120.8327	3.414	6	120.8327	11.658	6	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)	120.9418	1.928	4	120.9418	3.716	4	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)	120.9695	2.116	2	120.9695	4.479	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	120.6605	2.402	2	120.6605	5.770	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5x3,6x5,20x6]C[5]H)(C[6a]C[6a]2)(H)	120.8520	4.465	2	120.8520	19.933	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	120.7670	4.739	2	120.7670	22.458	2	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.1940	0.000	1	123.1940	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]N)2(H)	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	117.2700	0.000	1	117.2700	0.000	1	120.9236	7.178	88	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	122.6920	0.000	1	122.6920	0.000	1	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	123.9470	0.000	1	123.9470	0.000	1	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	125.4040	0.000	1	125.4040	0.000	1	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	120.6485	2.900	2	120.6485	8.409	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	116.6910	0.000	1	116.6910	0.000	1	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	121.1705	5.049	2	121.1705	25.497	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	121.3590	4.452	2	121.3590	19.820	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	121.2010	3.192	2	121.2010	10.188	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	120.5675	2.048	2	120.5675	4.196	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	120.8515	5.175	2	120.8515	26.784	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	120.6400	4.868	2	120.9642	16.045	4	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	121.2885	4.901	2	120.9642	16.045	4	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	121.2320	2.903	2	120.9640	6.608	8	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	120.8747	2.744	6	120.9640	6.608	8	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	120.6560	2.711	2	120.6560	7.350	2	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	120.6640	3.132	2	120.6983	4.175	4	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	120.7325	1.645	2	120.6983	4.175	4	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	123.9330	0.000	1	121.2645	4.441	11	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	120.7117	2.681	4	121.2645	4.441	11	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	121.3255	1.520	2	121.2645	4.441	11	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	121.0240	2.792	2	121.2645	4.441	11	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	121.2150	2.066	2	121.2645	4.441	11	121.1092	6.932	45	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	120.3300	2.510	4	120.1729	4.363	12	120.1729	4.363	12	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[4]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	120.0944	2.033	8	120.1729	4.363	12	120.1729	4.363	12	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[5,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)	121.6370	0.980	2	121.6370	0.960	2	121.6370	0.960	2	121.0232	6.390	219	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(NC[5])	120.3895	1.238	2	120.3895	1.533	2	120.3895	1.533	2	120.2002	4.425	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(NC[5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	120.7205	4.330	2	120.7205	18.746	2	120.7205	18.746	2	120.2002	4.425	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	119.4905	0.473	2	119.4905	0.224	2	119.4905	0.224	2	120.2002	4.425	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	120.3780	1.055	2	120.3780	1.113	2	120.3780	1.113	2	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[6]C[6]2Lu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(B[6]C[6]2Lu)(C[6a]C[6a]2)2	120.1848	2.050	15	120.1848	4.202	15	120.4039	3.485	19	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[6]C[6]2Sm)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(B[6]C[6]2Sm)(C[6a]C[6a]2)2	121.2258	0.400	4	121.2258	0.160	4	120.4039	3.485	19	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	120.2385	0.384	2	120.2385	0.147	2	120.2385	0.147	2	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	120.9440	0.000	1	120.9440	0.000	1	119.3120	0.705	7	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CRhN)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CRhN)	119.0400	0.474	6	119.0400	0.225	6	119.3120	0.705	7	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	120.8692	1.308	4	120.8692	1.711	4	120.8136	2.428	20	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)2	120.6268	2.121	4	120.6268	4.498	4	120.8136	2.428	20	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.7919	1.856	8	120.7919	3.445	8	120.8136	2.428	20	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	120.9880	1.019	4	120.9880	1.037	4	120.8136	2.428	20	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[5]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[5]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(NC[6a]C)	120.7925	3.451	2	120.7925	11.912	2	120.7925	11.912	2	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	119.6330	0.734	2	119.6330	0.539	2	119.6330	0.539	2	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	120.8604	0.754	8	120.8604	0.568	8	120.8604	0.568	8	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	118.5820	1.120	4	118.5820	1.254	4	118.6642	1.029	6	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	118.8285	1.141	2	118.8285	1.301	2	118.6642	1.029	6	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	120.6579	0.492	8	120.6579	0.242	8	120.6579	0.242	8	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	118.0300	0.000	1	117.7393	0.101	3	117.7393	0.101	3	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:O-1:	C[6]-4:C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	117.5940	0.274	2	117.7393	0.101	3	117.7393	0.101	3	120.2350	2.442	79	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(CC[5x3,5x5,20x6]C[6a]H)(C[6a]C[6a]2)(CC[6a]HH)	124.7970	0.000	1	124.7970	0.000	1	122.0606	1.643	7	121.0641	2.148	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)	121.6045	0.474	6	121.6045	0.225	6	122.0606	1.643	7	121.0641	2.148	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[4]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[4]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[4]N[4,5]C[4]H)(C[6a]C[6a]2)(SC[6a]OO)	119.8660	0.384	4	119.8660	0.147	4	119.8660	0.147	4	121.0641	2.148	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	119.5290	0.000	1	119.5290	0.000	1	119.9725	0.393	2	121.0641	2.148	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S){1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	120.4160	0.000	1	120.4160	0.000	1	119.9725	0.393	2	121.0641	2.148	13	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]N[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]N[5]H)2(C[6a]C[6a]2)	120.8200	0.438	2	120.8200	0.192	2	120.8200	0.192	2	120.8200	0.192	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	5:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-5:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(NSi[4]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NSi[4]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	120.4340	0.734	4	120.4340	0.539	4	120.4340	0.539	4	120.5549	1.269	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	5:3:3:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Nb[4,4]-5:C[6a]-3:C[6a]-3:	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Nb[4,4]Nb[12x3,4,4]N[4]2N)(C[6a]C[6a]2)2	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Nb[4,4]Nb[12x3,4,4]N[4]2N)(C[6a]C[6a]2)2	120.5487	1.163	8	120.5487	1.352	8	120.5487	1.352	8	120.5549	1.269	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	5:3:3:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[3,4]-5:C[6a]-3:C[6a]-3:	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Si[3,4]C[3]N[3]N[4]2)(C[6a]C[6a]2)2	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Si[3,4]C[3]N[3]N[4]2)(C[6a]C[6a]2)2	120.4920	0.867	4	120.4920	0.751	4	120.4920	0.751	4	120.5549	1.269	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	5:3:3:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[4,4]-5:C[6a]-3:C[6a]-3:	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	120.7510	1.875	4	120.7510	3.516	4	120.7510	3.516	4	120.5549	1.269	20	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	5:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,5]-5:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NGe[4,5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NGe[4,5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	121.5240	0.436	2	121.5240	0.190	2	121.5240	0.190	2	121.5240	0.190	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	6:3:1:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:	C[6a](NB[5x3,5x5,20x6]H)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(H)	C[6a](NB[5x3,5x5,20x6]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(H)	120.1164	2.054	8	120.1164	4.219	8	120.1164	4.219	8	120.1164	4.219	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	6:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	Nb[3x3]-6:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NNb[3x3]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NNb[3x3]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(Nb[3x3]P[3x3]3NN)(C[6a]C[6a]2)(CCHH)	120.8095	0.854	6	120.8095	0.729	6	120.8095	0.729	6	120.8095	0.729	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	7:3:5:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[3]-7:C[6a]-3:C-5:	C[6a](C[6a]C[6a]H)2(NC[3]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	C[6a](C[6a]C[6a]H)2(NC[3]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[3]H[3]2H4)(C[6a]C[6a]2)(CH4)	121.5175	1.638	2	121.5175	2.684	2	121.5175	2.684	2	121.5175	2.684	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:1:	7:7:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[3]-7:C[3]-7:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[3]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[3]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[3]H[3]2H4)2(C[6a]C[6a]2)	121.2910	0.512	2	121.2910	0.262	2	121.2910	0.262	2	121.2910	0.262	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	120.8120	0.000	2	120.8120	0.000	2	120.8120	0.000	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,4|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	120.7840	0.000	1	120.7840	0.000	1	120.5160	0.144	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	N(C[6a]C[6,6a]C[6a])(H)2	120.2480	0.000	1	120.2480	0.000	1	120.5160	0.144	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	N(C[6a]C[6,6a]C[6a])(O)2	118.8870	0.000	1	118.8870	0.000	1	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	N(C[6a]C[6,6a]C[6a])(O)2	118.2080	0.000	1	118.2080	0.000	1	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC){1|C<3>,2|C<4>}	N(C[6a]C[6,6a]C[6a])(O)2	117.2295	0.964	2	117.2295	0.929	2	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	115.8160	0.000	1	115.1033	0.535	3	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	115.1400	0.000	1	115.1033	0.535	3	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	114.3540	0.000	1	115.1033	0.535	3	116.6949	2.878	7	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(SC[6a])	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(SC[6a]){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	112.0510	0.000	1	112.0510	0.000	1	116.2156	6.158	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.9370	0.000	1	117.9370	0.000	1	116.2156	6.158	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	115.7900	0.000	1	117.0300	1.168	3	116.2156	6.158	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.6500	0.174	2	117.0300	1.168	3	116.2156	6.158	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9320	0.000	1	120.9320	0.000	1	121.1115	0.064	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NHH){1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.2910	0.000	1	121.2910	0.000	1	121.1115	0.064	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.1475	0.094	2	121.6649	0.347	9	121.6341	0.529	13	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.5345	0.606	2	121.6649	0.347	9	121.6341	0.529	13	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.5240	0.250	5	121.6649	0.347	9	121.6341	0.529	13	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.0790	0.434	3	122.0790	0.188	3	121.6341	0.529	13	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(CN){1|C<4>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.0220	0.000	1	120.0220	0.000	1	121.6341	0.529	13	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.7945	0.043	2	119.7945	0.002	2	119.6152	0.554	6	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.4980	0.000	1	120.4980	0.000	1	119.6152	0.554	6	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.1350	0.000	1	120.1350	0.000	1	119.6152	0.554	6	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.7345	0.323	2	118.7345	0.104	2	119.6152	0.554	6	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N)(CN){5|C<3>}	N(C[6a]C[6a]2)(H)2	120.5940	0.000	1	120.5940	0.000	1	121.5195	0.504	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.2940	0.000	1	121.8280	0.185	3	121.5195	0.504	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.5950	0.211	2	121.8280	0.185	3	121.5195	0.504	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.6120	0.000	1	121.6120	0.000	1	122.9340	3.495	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	124.2560	0.000	1	124.2560	0.000	1	122.9340	3.495	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.9150	0.000	1	120.9150	0.000	1	122.3060	3.870	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	123.6970	0.000	1	123.6970	0.000	1	122.3060	3.870	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(SC[6a]){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.3230	0.000	1	121.3230	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	122.0150	0.103	2	122.0150	0.011	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.5717	0.339	3	121.3773	0.080	8	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.2606	0.191	5	121.3773	0.080	8	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.9165	0.250	2	120.9165	0.062	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.3620	0.000	1	120.3620	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.0940	0.000	1	120.0940	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	N(C[6a]C[6a]2)(H)2	121.8060	0.000	1	121.8060	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]N)(CN){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	120.3810	0.000	1	120.3810	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9050	0.000	1	121.9050	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NHH){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(H)2	123.5210	0.000	1	123.5210	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.9780	0.000	1	119.6930	1.425	4	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.1260	0.000	1	119.6930	1.425	4	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.8340	0.980	2	119.6930	1.425	4	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.1130	0.000	1	121.0175	0.018	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9220	0.000	1	121.0175	0.018	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4530	0.611	3	121.4530	0.373	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.7350	0.545	3	119.7350	0.297	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	123.3890	0.000	1	123.3890	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.0420	0.000	1	121.0420	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.3665	0.301	2	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.8500	0.000	1	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.9540	0.025	2	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.7283	0.203	4	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.4340	0.000	1	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.8773	0.334	6	121.6314	0.154	16	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.5805	0.664	2	121.5161	0.319	9	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.3910	0.000	1	121.5161	0.319	9	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.6822	0.366	6	121.5161	0.319	9	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.0050	0.849	8	120.2360	0.841	10	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(H)2	121.1600	0.626	2	120.2360	0.841	10	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	121.2520	0.426	2	121.6437	0.551	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.4270	0.000	1	121.6437	0.551	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	122.3080	0.000	1	121.9537	0.097	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.7765	0.071	2	121.9537	0.097	3	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.6360	0.000	1	121.6360	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.1490	0.000	1	121.0345	2.484	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CN){2|C<3>}	N(C[6a]C[6a]2)(H)2	119.9200	0.000	1	121.0345	2.484	2	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CN){2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4820	0.000	1	119.4820	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]S)(CN){2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2160	0.000	1	120.2160	0.000	1	121.1567	0.938	79	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.5040	0.000	1	119.5040	0.000	1	121.1244	1.915	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	123.2070	0.000	1	121.5295	1.460	4	121.1244	1.915	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.1850	0.593	2	121.5295	1.460	4	121.1244	1.915	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5410	0.000	1	121.5295	1.460	4	121.1244	1.915	5	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	119.5000	0.762	2	119.5000	0.581	2	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.6580	0.000	1	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.9660	0.000	1	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.2510	0.000	1	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.6780	0.369	2	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3645	0.861	11	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.1050	0.206	2	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.6840	0.000	1	120.2176	0.629	19	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	115.4870	0.000	1	115.4870	0.000	1	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.3070	0.000	1	122.3070	0.000	1	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6905	1.688	2	121.6905	2.849	2	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.2010	0.000	1	122.2010	0.000	1	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.2560	0.000	1	121.2560	0.000	1	120.2876	1.991	27	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	123.4860	0.356	2	121.0346	2.760	10	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5162	0.255	4	121.0346	2.760	10	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3273	0.990	4	121.0346	2.760	10	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2660	0.000	1	121.2660	0.000	1	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.1750	0.000	1	121.1750	0.000	1	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7649	0.653	7	120.8742	2.019	13	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8352	1.389	6	120.8742	2.019	13	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0770	0.000	1	120.0770	0.000	1	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.9400	1.929	2	118.9400	3.721	2	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.3295	3.199	16	122.3295	10.234	16	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.4765	1.791	10	120.4765	3.208	10	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NN){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.2140	0.000	1	118.2140	0.000	1	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)2(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NN){1|C<3>,2|N<2>}	N(C[6a]C[6a]2)(O)2	119.1405	1.972	2	119.1405	3.889	2	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN){2|C<3>,3|N<2>}	N(C[6a]C[6a]2)(O)2	118.3975	0.503	2	118.3975	0.253	2	120.9735	5.313	59	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.7740	0.000	1	118.7740	0.000	1	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6990	0.000	1	118.8065	1.593	2	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	117.9140	0.000	1	118.8065	1.593	2	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.2420	0.091	2	119.2420	0.008	2	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4405	0.610	2	119.2033	0.529	18	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.0250	0.000	1	119.2033	0.529	18	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.9776	0.789	7	119.2033	0.529	18	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.2010	0.809	6	119.2033	0.529	18	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.3520	0.652	2	119.2033	0.529	18	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.4470	0.000	1	120.4022	0.650	4	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.2490	0.000	1	120.4022	0.650	4	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9565	0.057	2	120.4022	0.650	4	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.8760	0.000	1	119.1027	0.409	6	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.2400	0.000	1	119.1027	0.409	6	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.0570	0.979	3	119.1027	0.409	6	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.3290	0.000	1	119.1027	0.409	6	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|I<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.0180	0.000	1	118.0180	0.000	1	119.2580	0.673	34	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.9885	1.478	4	121.1950	1.851	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OC){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.0210	0.000	1	121.1950	1.851	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.3506	0.077	5	120.3506	0.006	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.2190	0.000	1	118.2190	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]N)(OC){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	116.4840	1.220	2	116.4840	1.490	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2990	0.000	1	118.2990	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.5350	0.000	1	119.5350	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	115.9680	0.000	1	115.9680	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5540	0.000	1	119.0230	0.440	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.4920	0.000	1	119.0230	0.440	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5850	0.000	1	117.3998	1.791	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5790	0.000	1	117.3998	1.791	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.6117	1.119	3	117.3998	1.791	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.8840	0.000	1	116.8840	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.3600	0.000	1	120.7895	0.369	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.2190	0.000	1	120.7895	0.369	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.2490	0.095	2	120.4283	0.101	3	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.7870	0.000	1	120.4283	0.101	3	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.3770	0.000	1	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7370	0.000	1	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9070	0.659	4	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.7895	1.398	2	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.5180	0.000	1	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.0850	0.000	1	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6153	0.732	4	121.0989	1.707	14	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCo)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCo){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5390	0.735	2	119.5390	0.541	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCr)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCr){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0090	0.000	1	120.0090	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3460	0.000	1	119.5430	3.116	3	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.1415	2.295	2	119.5430	3.116	3	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7477	0.909	3	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5690	0.209	2	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2120	0.176	3	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.9820	0.079	2	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2252	0.325	5	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1525	1.247	22	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9050	0.000	1	121.0359	1.049	38	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(ONi)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(ONi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5745	1.235	2	119.5640	1.410	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(ONi)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(ONi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8903	0.596	3	119.5640	1.410	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OPt)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OPt){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2100	0.000	1	121.2100	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OZn)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OZn){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.6488	1.025	5	118.6488	1.051	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3230	0.000	1	120.3230	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5570	0.000	1	120.5570	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.4290	0.000	1	123.4290	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3265	1.450	2	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.8375	1.480	2	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.1909	0.821	10	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8055	0.533	14	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.2020	0.000	1	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.5480	0.000	1	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2693	0.533	3	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.5740	0.000	1	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0679	1.027	10	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.2800	1.306	3	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8007	1.060	19	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Ir<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.7410	0.000	1	121.3899	1.074	67	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.0065	0.575	2	121.9299	1.134	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.9600	0.000	1	121.9299	1.134	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	123.3235	0.107	2	121.9299	1.134	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9397	0.731	3	121.9299	1.134	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.9945	0.054	2	121.8083	1.083	70	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.9262	1.028	61	121.8083	1.083	70	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.4760	1.154	2	121.8083	1.083	70	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2282	0.808	5	121.8083	1.083	70	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OFe)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.1340	0.000	1	120.1340	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9162	1.502	4	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6790	0.000	1	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5087	0.156	9	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2028	0.950	5	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1630	0.113	2	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.9285	0.135	2	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.6253	0.067	4	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0530	0.000	1	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.8410	0.868	2	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1163	0.661	15	120.9800	0.610	45	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.6340	0.976	4	122.5596	0.742	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2620	0.000	1	122.5596	0.742	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0200	0.000	1	119.0200	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5320	0.000	1	122.5320	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2100	0.922	5	121.3952	0.466	10	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6525	0.576	2	121.3952	0.466	10	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.7850	0.000	1	121.3952	0.466	10	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4060	0.086	2	121.3952	0.466	10	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3670	0.000	1	119.7930	1.305	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.5830	0.000	1	119.7930	1.305	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.4925	1.872	2	119.7930	1.305	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0300	0.000	1	119.7930	1.305	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.4970	0.314	2	120.3397	0.047	7	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2768	0.171	5	120.3397	0.047	7	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.7930	0.000	1	119.7930	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0805	1.791	2	120.4530	1.203	22	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.4903	1.070	20	120.4530	1.203	22	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OC[6])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3440	2.346	4	119.3440	5.503	4	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8550	2.203	2	119.8550	4.855	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OFe)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3330	1.054	2	119.3330	1.110	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.4960	0.000	1	119.8640	1.604	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8510	0.822	2	119.8640	1.604	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8467	1.309	36	119.8640	1.604	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3735	0.952	2	119.8640	1.604	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5802	0.327	4	120.5802	0.107	4	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8080	0.000	1	120.8080	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.1750	0.000	1	118.1750	0.000	1	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	116.5170	0.243	2	116.5170	0.059	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.6532	0.470	5	118.6532	0.221	5	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.2535	1.777	2	120.2535	3.158	2	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	119.7915	0.028	2	118.6659	0.824	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.5033	0.787	37	118.6659	0.824	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	120.5490	0.153	2	118.6659	0.824	41	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	119.9290	0.775	2	119.3539	0.557	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)2(NOO)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	119.1622	0.695	6	119.3539	0.557	8	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.5718	0.639	6	115.5718	0.408	6	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<4>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.5615	0.933	26	115.6043	0.788	35	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<5>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.7260	0.829	8	115.6043	0.788	35	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pt<6>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	115.7450	0.000	1	115.6043	0.788	35	120.1674	4.124	498	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.3785	0.472	4	121.3785	0.223	4	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6460	0.000	1	121.6460	0.000	1	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5175	0.112	2	121.5175	0.013	2	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNi)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.2100	0.000	1	121.2100	0.000	1	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5730	0.000	1	120.5730	0.000	1	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.8710	0.000	1	121.4540	0.348	2	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0370	0.000	1	121.4540	0.348	2	121.3533	0.182	11	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9830	0.000	1	121.9830	0.000	1	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[3x3])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[3x3]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9060	0.083	2	120.9060	0.007	2	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9605	0.366	4	120.6352	0.188	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3100	0.154	4	120.6352	0.188	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6890	0.000	1	120.6890	0.000	1	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7030	0.000	1	120.9270	0.136	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8550	0.000	1	120.9270	0.136	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.6280	0.000	1	120.9270	0.136	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8540	0.364	3	120.9270	0.136	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8340	0.331	2	120.9270	0.136	8	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6825	0.267	4	120.1902	0.367	11	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9089	0.567	7	120.1902	0.367	11	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5240	0.099	2	119.5240	0.010	2	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9190	0.000	1	120.9190	0.000	1	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.2043	0.385	4	119.2043	0.148	4	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SPd)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SPd){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3410	0.000	1	121.3410	0.000	1	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9755	0.327	2	120.7619	0.201	14	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6880	0.470	11	120.7619	0.201	14	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.1480	0.000	1	120.7619	0.201	14	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	120.0305	1.019	6	120.0305	1.039	6	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SC){1|O<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3740	0.000	1	118.3740	0.000	1	120.4404	0.602	60	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.4840	0.372	2	122.4840	0.138	2	122.2097	0.295	3	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6610	0.000	1	121.6610	0.000	1	122.2097	0.295	3	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5515	0.385	2	119.5515	0.149	2	119.8822	0.233	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2130	0.335	2	120.2130	0.112	2	119.8822	0.233	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	125.1680	0.000	1	125.1680	0.000	1	125.1680	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.0560	0.000	1	122.0560	0.000	1	122.0560	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)(CN){4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6450	0.000	1	122.6450	0.000	1	122.1110	0.261	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]2)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(CN){1|C<2>,2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.4310	0.000	1	122.4310	0.000	1	122.1110	0.261	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.6840	0.175	2	121.6840	0.031	2	122.1110	0.261	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.3755	0.863	6	121.3755	0.745	6	121.6870	1.019	10	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.5883	0.274	3	121.5883	0.075	3	121.6870	1.019	10	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.8520	0.000	1	123.8520	0.000	1	121.6870	1.019	10	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a]2)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]N[5a,6a]C[6a])(H)2	128.0010	0.000	1	128.0010	0.000	1	128.0010	0.000	1	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]N[5a,6a]C[6a])(H)2	127.0440	0.320	4	127.0440	0.102	4	127.0440	0.102	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	125.7590	0.498	2	125.7590	0.248	2	125.7590	0.248	2	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	N[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[5a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(CN){1|C<2>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.8058	0.251	4	121.8058	0.063	4	121.8058	0.063	4	120.4306	3.961	862	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	117.7980	0.000	1	117.7980	0.000	1	119.3682	13.070	9	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	118.0635	0.124	2	118.0635	0.015	2	119.3682	13.070	9	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(NC[6])(H)	120.0648	4.376	6	120.0648	19.153	6	119.3682	13.070	9	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.4200	0.868	2	121.4200	0.754	2	121.4200	0.754	2	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	117.6940	0.000	1	117.4657	0.088	8	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	117.4331	0.305	7	117.4657	0.088	8	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	117.1075	0.176	2	117.1075	0.031	2	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	117.1750	0.309	7	117.1750	0.095	7	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	115.1720	0.000	1	115.6255	0.411	2	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	116.0790	0.000	1	115.6255	0.411	2	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	116.8310	0.157	2	117.6015	1.144	4	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	118.3720	1.017	2	117.6015	1.144	4	117.2097	0.511	23	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	123.1510	0.000	1	123.1510	0.000	1	119.5480	4.192	5	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]O)2(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]O)2(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6a])(O)	118.6472	0.425	4	118.6472	0.181	4	119.5480	4.192	5	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OBa)(O)	120.8900	0.000	1	122.5607	2.389	3	121.8129	1.183	8	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OBa){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OBa)(O)	123.3960	0.769	2	122.5607	2.389	3	121.8129	1.183	8	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OCa)	N(C[6a]C[6a]2)(OCa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OCa){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OCa)(O)	121.5130	0.826	2	121.5130	0.682	2	121.8129	1.183	8	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OLi)	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OLi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OLi)(O)	121.3800	0.000	1	121.3800	0.000	1	121.8129	1.183	8	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC)	N(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OC){1|Pd<4>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(OPd)(O)	121.2075	0.213	2	121.2075	0.045	2	121.8129	1.183	8	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN)(H)	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-2:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(SS){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(SS)(H)	120.9560	0.000	1	120.9560	0.000	1	120.9560	0.000	1	118.8831	6.047	50	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	122.1340	0.000	2	122.1340	0.000	2	122.1340	0.000	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OFe)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OFe){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.3470	0.000	1	123.3470	0.000	1	124.3194	0.904	8	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CN){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	124.4583	0.935	7	124.4583	0.875	7	124.3194	0.904	8	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a])	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	120.9060	0.000	1	120.9060	0.000	1	120.9060	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.1410	2.933	2	119.1410	8.603	2	119.1086	2.067	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.9260	0.000	1	118.9260	0.000	1	119.1086	2.067	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.1380	1.119	4	119.1380	1.253	4	119.1086	2.067	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORu)	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(ORu){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NRuN)(H)	122.8320	0.356	2	122.8320	0.127	2	122.8320	0.127	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|O<1>,4|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.3585	0.097	2	119.3585	0.009	2	119.3585	0.009	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.3010	0.000	1	122.3010	0.000	1	125.8623	8.674	4	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	128.2815	0.049	2	128.2815	0.002	2	125.8623	8.674	4	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.5850	0.000	1	124.5850	0.000	1	125.8623	8.674	4	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|C<4>,1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(NHH)(H)	118.4320	0.000	1	118.4320	0.000	1	118.4320	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[5]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.6210	1.071	2	117.5784	0.866	8	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.3016	0.683	5	117.5784	0.866	8	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.8770	0.000	1	117.5784	0.866	8	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.2240	0.000	1	117.2240	0.000	1	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.2643	0.955	7	117.9823	1.024	12	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.5874	1.055	5	117.9823	1.024	12	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.0440	0.000	1	117.0440	0.000	1	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	117.5635	0.168	2	117.5635	0.028	2	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7670	0.000	1	119.4440	0.081	3	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.2825	0.073	2	119.4440	0.081	3	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.1680	0.076	2	118.1680	0.006	2	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(CC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.2199	1.360	13	117.2199	1.851	13	117.7223	1.318	42	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.4000	0.511	2	119.4000	0.261	2	119.7630	0.265	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.0847	0.466	3	119.9445	0.223	4	119.7630	0.265	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.5240	0.000	1	119.9445	0.223	4	119.7630	0.265	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IC[6a]){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	119.8066	0.599	24	119.8066	0.359	24	119.8066	0.359	24	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.0670	0.000	1	116.0670	0.000	1	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CNN)(H)	113.7640	0.000	1	113.7640	0.000	1	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	116.5845	0.346	4	116.4620	0.223	6	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	116.2170	0.758	2	116.4620	0.223	6	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	117.5773	0.224	6	117.5773	0.050	6	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.4502	3.596	13	119.4502	12.931	13	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	115.7028	0.258	4	115.7028	0.066	4	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.0950	0.000	1	117.1326	0.436	7	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.9722	0.555	6	117.1326	0.436	7	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	125.8000	0.000	1	125.8000	0.000	1	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4407	0.729	4	119.4407	0.531	4	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	115.6550	1.579	7	115.6550	2.493	7	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1850	0.000	1	118.1850	0.000	1	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.6280	0.000	1	118.6280	0.000	1	117.6850	7.244	52	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	116.0465	2.969	2	116.0465	8.816	2	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	111.8560	0.000	1	111.8560	0.000	1	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	115.2980	0.000	1	115.2980	0.000	1	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	117.9195	0.230	2	118.6596	0.539	5	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.7330	0.000	1	118.6596	0.539	5	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.3630	0.105	2	118.6596	0.539	5	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	114.8620	0.253	2	114.8620	0.064	2	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	113.9413	1.590	12	113.9413	2.529	12	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	113.2480	0.000	1	113.2480	0.000	1	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	126.6290	0.000	1	126.6290	0.000	1	115.5777	10.893	25	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.5970	0.000	1	119.5970	0.000	1	120.8400	0.806	8	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.5177	0.796	3	120.5177	0.633	3	120.8400	0.806	8	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6a])2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[6a])2(NCH){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	121.3925	0.658	4	121.3925	0.433	4	120.8400	0.806	8	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	115.4230	0.607	2	115.4230	0.368	2	115.4230	0.368	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6,6]O)(H)	118.5100	0.000	1	118.5100	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.6500	0.942	4	116.6500	0.888	4	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	116.6480	0.000	1	116.6480	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.6600	0.000	1	115.8408	0.470	21	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.9047	0.726	14	115.8408	0.470	21	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.7217	0.689	6	115.8408	0.470	21	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.8980	0.713	2	113.8980	0.508	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OFe)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	113.7787	1.377	3	113.7787	1.897	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.8327	0.532	3	120.8327	0.283	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.3640	0.386	2	121.2413	29.328	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	114.9960	0.000	1	121.2413	29.328	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.0840	0.222	2	115.0840	0.049	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.5045	0.476	2	114.5045	0.226	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	115.2180	0.757	2	115.2180	0.572	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	116.9560	0.000	1	116.5740	0.292	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	116.1920	0.000	1	116.5740	0.292	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	115.5400	0.460	5	115.5400	0.211	5	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.3927	0.464	3	116.5619	1.655	23	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9500	0.000	1	116.5619	1.655	23	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.3470	0.686	4	116.5619	1.655	23	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	115.6910	0.000	1	116.5619	1.655	23	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.4797	1.300	14	116.5619	1.655	23	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	115.8970	0.000	1	115.8970	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	116.2940	0.000	1	116.2940	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	115.5910	0.081	2	115.5910	0.006	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	115.8377	0.700	3	115.8377	0.490	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	115.6115	0.639	2	115.6115	0.408	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	116.6624	0.862	8	116.6624	0.743	8	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.8384	1.136	8	116.5035	1.152	41	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3835	0.245	2	116.5035	1.152	41	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.5968	1.109	24	116.5035	1.152	41	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5350	0.000	1	116.5035	1.152	41	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.5518	0.466	6	116.5035	1.152	41	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	116.5955	0.272	2	116.5955	0.074	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	117.4542	1.867	30	117.4542	3.484	30	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	115.1280	0.000	1	116.3715	0.366	11	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	116.5002	0.490	6	116.3715	0.366	11	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.6483	0.477	3	116.3715	0.366	11	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.0120	0.000	1	116.3715	0.366	11	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	114.7800	0.000	1	115.6901	2.844	17	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	113.8545	0.333	2	115.6901	2.844	17	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	115.4600	0.000	1	115.6901	2.844	17	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	116.0602	1.732	13	115.6901	2.844	17	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)(H)	113.6630	0.000	1	113.6630	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	115.3700	0.000	1	115.3700	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	119.2927	1.740	4	119.1290	1.651	7	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9107	0.534	3	119.1290	1.651	7	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.0012	0.256	4	118.0012	0.066	4	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7410	0.000	1	116.7410	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.5454	4.384	8	120.5454	19.224	8	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.5400	0.000	1	117.1984	4.346	5	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	115.1850	0.000	1	117.1984	4.346	5	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	116.4050	0.915	2	117.1984	4.346	5	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	117.4570	0.000	1	117.1984	4.346	5	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.5910	5.009	3	116.6958	7.043	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	115.4240	0.000	1	116.6958	7.043	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.0910	0.000	1	116.6958	7.043	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.0478	1.367	11	116.6958	7.043	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.3555	1.053	2	116.6958	7.043	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	115.8200	0.000	1	115.8200	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	116.2210	0.000	1	116.2210	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	118.8170	0.000	2	118.8170	0.000	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.5260	3.338	11	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.1365	0.617	2	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.8050	0.000	1	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.0770	0.000	1	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.2307	2.047	15	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.9877	4.343	3	117.3747	6.927	33	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	116.2010	0.000	1	116.2010	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	115.3160	0.000	1	115.3160	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	115.9565	0.907	4	115.9565	0.823	4	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.1640	0.000	1	115.6637	2.828	6	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	115.3810	0.000	1	115.6637	2.828	6	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.1480	2.515	3	115.6637	2.828	6	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	114.9930	0.000	1	115.6637	2.828	6	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	116.6090	0.000	1	116.6090	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	113.4160	0.042	2	113.4160	0.002	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.7930	0.297	2	118.7930	0.088	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]O)(H)	116.0235	0.456	4	116.0235	0.208	4	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.6660	1.070	3	116.6660	1.145	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8775	5.641	2	118.8775	31.816	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(OP)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.9575	1.186	2	117.9575	1.406	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]N)2(OP)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.0375	0.008	2	118.0375	0.000	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.5810	0.000	1	116.5810	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	117.3160	0.000	1	117.3160	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1760	0.400	3	117.1760	0.160	3	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	118.0590	0.000	1	118.0590	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	114.4520	0.000	1	114.4520	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.6970	0.000	1	121.6970	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1644	0.943	26	120.1644	0.888	26	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.8010	1.635	2	119.8010	2.673	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]O)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	126.8410	0.000	1	126.8410	0.000	1	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	115.4995	1.636	18	115.4995	2.677	18	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	115.1120	1.051	2	115.1120	1.104	2	117.0255	5.312	361	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.8310	0.000	1	117.8310	0.000	1	116.0435	6.390	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	114.2560	0.000	1	114.2560	0.000	1	116.0435	6.390	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.6430	0.000	1	118.6430	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	119.6190	0.000	1	119.6190	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	115.6070	0.000	1	115.6070	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	117.2300	0.000	1	117.2300	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	116.6200	0.761	2	116.8336	0.880	5	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	118.2800	0.000	1	116.8336	0.880	5	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	116.3240	0.489	2	116.8336	0.880	5	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.1525	0.192	2	116.1525	0.037	2	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.9280	0.000	1	118.9280	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	114.7320	0.000	1	116.3497	4.753	3	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	115.4880	0.000	1	116.3497	4.753	3	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.8290	0.000	1	116.3497	4.753	3	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	127.2850	0.000	1	127.2850	0.000	1	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	114.5845	0.292	2	114.5845	0.085	2	117.3335	8.630	18	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	118.7720	1.049	4	118.7720	1.100	4	118.7720	1.100	4	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]N)(H)	118.1190	0.188	2	118.1190	0.035	2	118.1190	0.035	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCo)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCo){1|C<3>,2|H<1>}	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,1|H<1>,1|N<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.2100	0.000	1	118.2100	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	122.4160	0.000	1	122.1468	5.248	17	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.1299	2.365	16	122.1468	5.248	17	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	120.6617	1.408	3	120.6617	1.982	3	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[4]O)(H)	120.5285	0.506	2	120.5285	0.256	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.3732	1.450	4	118.3732	2.101	4	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.8160	0.000	1	121.8160	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1453	1.390	3	119.1453	1.931	3	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.3370	0.853	4	118.3370	0.728	4	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.2140	0.000	1	117.2140	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a])	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[5a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	121.4360	0.000	1	121.4360	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.6615	0.383	2	119.6615	0.146	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.6520	0.000	1	117.6520	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.9360	0.000	1	117.9360	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCd)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCd){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.0220	0.904	2	117.0220	0.817	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCo)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCo){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5x4]O)(H)	116.5920	0.000	1	116.5920	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.4147	0.852	3	116.4147	0.726	3	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9120	0.000	1	117.9120	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNi)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.2840	0.000	1	116.2840	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SPt)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SPt){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.5995	0.049	2	117.5995	0.002	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.5670	0.604	2	118.5670	0.365	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5420	0.318	2	118.5420	0.101	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SZn)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SZn){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.0470	0.246	2	117.0470	0.061	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SZn)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SZn){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7780	0.805	2	116.7780	0.648	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.6917	0.910	4	117.6917	0.827	4	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SC)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.9390	0.000	1	117.9390	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SW)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(SW){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.4920	0.054	2	116.4920	0.003	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.3530	0.000	1	118.3530	0.000	1	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]N)2(SFe)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(SFe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.4250	0.427	2	116.4250	0.182	2	119.1513	6.031	69	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.3910	0.000	1	118.3910	0.000	1	118.3910	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.9170	1.926	2	119.9170	3.710	2	119.5745	4.935	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.4130	0.000	1	117.4130	0.000	1	119.5745	4.935	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a])	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.0667	2.769	3	120.0667	7.667	3	119.5745	4.935	6	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:P[4]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4])	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	119.6370	0.123	2	119.6370	0.015	2	119.6370	0.015	2	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeMo)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeMo){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.8755	2.586	4	117.8755	6.689	4	118.2524	3.746	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.9070	0.000	1	117.9070	0.000	1	118.2524	3.746	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1790	0.072	2	119.1790	0.005	2	118.2524	3.746	7	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4497	0.427	10	121.4460	0.164	11	121.4460	0.164	11	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4090	0.000	1	121.4460	0.164	11	121.4460	0.164	11	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.1870	0.000	1	122.1870	0.000	1	122.1870	0.000	1	117.8165	7.281	680	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC){3|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCO)2	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CCO)2	119.8330	0.000	1	119.8330	0.000	1	119.6560	0.063	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	119.4790	0.000	1	119.4790	0.000	1	119.6560	0.063	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a])	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	119.2210	0.000	1	119.2210	0.000	1	119.1500	0.010	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	119.0790	0.000	1	119.0790	0.000	1	119.1500	0.010	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	118.6120	0.000	1	118.6120	0.000	1	119.4927	0.600	3	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]O)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]O)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)2	119.9330	0.194	2	119.9330	0.038	2	119.4927	0.600	3	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.8020	0.000	1	119.8020	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[5a]O)	120.0540	0.000	1	120.0540	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	120.9990	0.000	1	120.9990	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	122.3430	0.245	2	122.3430	0.060	2	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	122.6550	0.000	1	122.6550	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.6850	0.000	1	119.6850	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	122.6640	0.000	1	122.6640	0.000	1	121.3181	1.775	8	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(C[6]C[6]2)	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	121.2185	0.631	2	121.2185	0.399	2	117.6415	9.667	12	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.1985	0.141	2	120.1985	0.020	2	117.6415	9.667	12	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	114.7173	0.259	6	114.7173	0.067	6	117.6415	9.667	12	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]N)2(OC[6a])	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.2800	1.301	2	120.2800	1.693	2	117.6415	9.667	12	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CC[6a]O)	121.8720	0.000	1	121.8720	0.000	1	123.0190	2.631	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(SC[6a])	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C){1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(SC[6a]){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(CC[6a]O)	124.1660	0.000	1	124.1660	0.000	1	123.0190	2.631	2	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(COO)	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	119.5752	7.079	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(CC){1|C<2>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a]){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	122.4170	0.000	1	122.4170	0.000	1	120.8290	1.899	3	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(CC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.0350	0.124	2	120.0350	0.015	2	120.8290	1.899	3	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.0370	0.000	1	119.0370	0.000	1	119.9693	0.889	6	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.8053	0.417	3	119.8053	0.174	3	119.9693	0.889	6	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.7140	0.000	1	121.7140	0.000	1	119.9693	0.889	6	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.6490	0.000	1	119.6490	0.000	1	119.9693	0.889	6	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	119.6880	0.000	1	119.6880	0.000	1	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CC[6]HH)	119.0950	0.000	1	119.0950	0.000	1	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	114.0885	0.780	2	114.0885	0.608	2	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(OC[5])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.2177	0.376	4	120.2177	0.141	4	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(OC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.3748	0.331	4	120.3748	0.109	4	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.4610	0.929	2	119.6905	0.536	10	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(OH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.7479	0.739	8	119.6905	0.536	10	119.3743	3.338	22	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]N)(CH3)	120.2710	0.160	2	120.2710	0.026	2	120.2710	0.026	2	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	118.5630	0.000	1	118.5630	0.000	1	120.6690	3.568	3	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.7220	0.696	2	121.7220	0.484	2	120.6690	3.568	3	119.8299	2.726	40	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN)	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(NCH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a,6a]N)(CN){1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC3)(H)	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9800	0.000	1	118.9800	0.000	1	118.3617	0.476	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(OC){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.0525	0.616	2	118.0525	0.379	2	118.3617	0.476	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.0310	0.000	1	121.0310	0.000	1	122.7810	6.125	2	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	124.5310	0.000	1	124.5310	0.000	1	122.7810	6.125	2	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.7283	0.394	3	120.7283	0.156	3	120.7283	0.156	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a])	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCCH)(H)	118.7040	0.000	1	118.7040	0.000	1	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(H)	118.0280	0.107	2	116.7750	4.716	3	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	114.2690	0.000	1	116.7750	4.716	3	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	117.7720	0.000	1	117.7720	0.000	1	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	121.9338	3.307	4	121.9338	10.936	4	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.4840	0.000	1	122.6017	8.481	4	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.6410	3.565	3	122.6017	8.481	4	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.4205	0.115	2	117.4205	0.013	2	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	119.2250	0.000	1	119.2250	0.000	1	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.6360	0.000	1	121.6360	0.000	1	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.4590	0.000	1	117.4590	0.000	1	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRe)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.8277	1.114	4	120.8277	1.240	4	120.0643	8.428	22	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.4480	0.000	1	121.4480	0.000	1	119.8770	4.562	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.7380	0.000	1	120.7380	0.000	1	119.8770	4.562	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(SN[5]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SN[5]OO)(H)	117.4450	0.000	1	117.4450	0.000	1	119.8770	4.562	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	122.9440	4.827	2	122.9440	23.297	2	122.9440	23.297	2	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.5440	0.000	1	119.5440	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.5920	0.000	1	119.5920	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OCu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	115.6290	0.180	2	115.6290	0.032	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	117.8630	0.000	1	117.8630	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	118.0685	0.493	2	118.0685	0.243	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	116.9785	0.135	2	116.9785	0.018	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]CC)(H)	117.4820	0.000	1	117.4820	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	116.8640	0.000	1	116.8640	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	117.9730	0.000	1	117.9730	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.2646	0.801	9	117.2646	0.642	9	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CIrNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CIrNN)(H)	117.9290	0.000	1	117.9290	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	116.9445	0.670	2	116.9445	0.448	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuNN)(H)	117.2297	1.179	3	117.2297	1.390	3	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.9680	0.000	1	119.9680	0.000	1	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	117.7770	0.660	2	117.7770	0.436	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.1665	0.482	2	117.5740	0.614	3	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	118.3890	0.000	1	117.5740	0.614	3	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	117.7400	0.247	2	117.7400	0.061	2	117.5223	1.052	35	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(PO3)(H)	118.4900	0.000	1	118.4900	0.000	1	118.4900	0.000	1	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	120.4923	1.713	3	120.4923	2.936	3	120.4923	2.936	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	116.5640	0.000	1	117.8200	6.720	3	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4480	3.328	2	117.8200	6.720	3	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.2910	0.000	1	120.2910	0.000	1	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4623	2.790	6	119.4623	7.787	6	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	116.1490	0.000	1	116.1490	0.000	1	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.2620	0.000	1	117.2620	0.000	1	118.6613	6.297	12	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.3240	0.000	1	121.3240	0.000	1	120.5713	0.463	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	120.1950	0.277	2	120.1950	0.077	2	120.5713	0.463	3	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.7267	0.160	4	121.5170	0.239	5	121.2897	0.700	7	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6780	0.000	1	121.5170	0.239	5	121.2897	0.700	7	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]S)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]S)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.7215	1.529	2	120.7215	2.339	2	121.2897	0.700	7	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	118.9505	0.465	2	118.9505	0.216	2	118.9505	0.216	2	119.1622	5.688	100	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	118.0030	0.000	1	118.0030	0.000	1	121.6181	1.646	13	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.9864	0.482	7	121.9864	0.232	7	121.6181	1.646	13	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCS)	123.2800	0.000	1	123.2800	0.000	1	121.6181	1.646	13	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.7355	1.061	2	121.7355	1.127	2	121.6181	1.646	13	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	121.1880	0.242	2	121.1880	0.058	2	121.6181	1.646	13	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(CCO)	119.5730	0.000	1	119.5730	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.4445	0.131	2	119.4445	0.017	2	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHN)	118.3185	0.009	2	118.3185	0.000	2	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CIrN)	118.3700	0.440	2	118.3700	0.193	2	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CRhN)	117.7170	0.000	1	117.7170	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.8910	0.000	1	119.8910	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	120.2910	0.000	1	120.2910	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	118.8940	0.000	1	118.8940	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	122.1130	0.000	1	122.1130	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.6673	0.248	3	119.6673	0.061	3	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	120.8720	0.000	1	120.8720	0.000	1	119.4137	1.246	16	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.4473	0.226	3	121.4473	0.051	3	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	120.1610	0.000	1	120.1610	0.000	1	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	119.0220	0.000	1	119.0220	0.000	1	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CHO)	119.1910	0.000	1	119.1910	0.000	1	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	120.7062	0.614	10	120.7062	0.377	10	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.6950	0.334	3	119.6950	0.112	3	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	119.1680	0.000	1	119.1680	0.000	1	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.0970	0.000	1	121.0970	0.000	1	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	120.8135	0.579	2	120.8135	0.335	2	120.4676	0.701	23	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.6263	0.283	3	120.6263	0.080	3	120.6263	0.080	3	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	120.4396	1.619	56	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	124.7570	0.000	1	124.7570	0.000	1	124.7570	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CN){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.3175	0.152	2	121.3175	0.023	2	122.5164	5.475	7	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HH)(CH3)	118.2610	0.000	1	118.2610	0.000	1	122.5164	5.475	7	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	123.5340	0.000	1	123.5340	0.000	1	122.5164	5.475	7	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	124.4340	0.000	1	124.4340	0.000	1	122.5164	5.475	7	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	124.3755	0.465	2	124.3755	0.216	2	122.5164	5.475	7	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[6a])2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]N[6a])2(NCC){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)2	123.1105	1.155	2	123.1105	1.333	2	123.1105	1.333	2	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	123.1400	0.085	2	123.1400	0.007	2	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	114.3120	0.000	1	114.3120	0.000	1	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.2393	0.693	3	119.9960	1.529	9	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	119.6580	0.000	1	119.9960	1.529	9	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	121.1240	0.000	1	119.9960	1.529	9	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	118.8660	0.215	4	119.9960	1.529	9	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	118.9360	0.000	1	118.9360	0.000	1	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHO)2	118.6730	0.000	1	118.6730	0.000	1	119.8689	5.151	14	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(PC[6a]2Se)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)2	120.6500	0.000	1	120.6500	0.000	1	119.5663	1.082	3	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)(PC[6a]2Ti)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ti)2	119.0245	0.634	2	119.0245	0.402	2	119.5663	1.082	3	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NSS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)2	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	120.8897	5.439	33	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]C[5]C)(C[6a]C[6a]2)(H)	117.3370	0.000	1	117.3370	0.000	1	118.2028	5.715	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	116.8840	0.000	1	116.8840	0.000	1	118.2028	5.715	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	121.7720	0.000	1	121.7720	0.000	1	118.2028	5.715	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(CC[5a]C[5]H)(C[6a]C[6a]2)(H)	116.8180	0.000	1	116.8180	0.000	1	118.2028	5.715	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	117.8950	0.000	1	117.8950	0.000	1	117.7308	0.191	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	118.1660	0.000	1	117.6760	0.268	3	117.7308	0.191	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	117.1340	0.000	1	117.6760	0.268	3	117.7308	0.191	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	117.7280	0.000	1	117.6760	0.268	3	117.7308	0.191	4	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	117.7366	2.747	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(COO)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(COO){1|O<1>,2|N<3>}	N(C[6a]C[5,6a]C[6a])(O)2	119.7610	0.000	1	119.7610	0.000	1	119.7610	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(C[6a]C[6a]2)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH){1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.1320	0.000	1	119.1320	0.000	1	117.9085	2.994	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO){1|C<4>,6|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	116.6850	0.000	1	116.6850	0.000	1	117.9085	2.994	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	128.8685	0.653	4	128.8685	0.427	4	128.8685	0.427	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.9410	0.000	1	121.9410	0.000	1	120.7760	2.714	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CNO){1|Br<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	119.6110	0.000	1	119.6110	0.000	1	120.7760	2.714	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(O)2	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	124.3760	0.000	1	124.3760	0.000	1	124.3760	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NHH){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.2990	0.000	1	118.2990	0.000	1	118.2990	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4800	0.000	1	120.4800	0.000	1	121.4742	0.569	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.7650	0.000	1	120.7650	0.000	1	121.4742	0.569	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.2660	0.000	1	122.2650	0.000	2	121.4742	0.569	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(COO){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.2640	0.000	1	122.2650	0.000	2	121.4742	0.569	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CCO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.5350	0.313	2	121.5350	0.098	2	121.4742	0.569	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	117.4990	0.124	2	117.4990	0.015	2	117.4990	0.015	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.5373	0.113	3	121.5373	0.013	3	121.5373	0.013	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.1940	0.000	1	118.6707	0.272	3	119.0132	0.357	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	118.4090	0.365	2	118.6707	0.272	3	119.0132	0.357	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.4870	0.000	1	119.4870	0.000	1	119.0132	0.357	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(C[6a]C[6a]2)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|Br<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(O)2	119.5670	0.000	1	119.5670	0.000	1	119.0132	0.357	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[4]C[4,6]C[4])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	118.8490	0.000	1	118.8490	0.000	1	118.8490	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO){4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	119.3400	0.000	1	119.3400	0.000	1	119.3400	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.1855	0.039	2	122.1855	0.002	2	122.1855	0.002	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.7420	0.000	1	119.7420	0.000	1	120.8720	1.215	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.9440	0.000	1	121.9440	0.000	1	120.8720	1.215	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.9300	0.000	1	120.9300	0.000	1	120.8720	1.215	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N(C[6a]C[6a]2)(O)2	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NHH){1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	N(C[6a]C[6a]2)(H)2	125.7190	0.000	1	125.7190	0.000	1	125.7190	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2085	0.087	2	122.2085	0.008	2	120.6580	2.165	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	N(C[6a]C[6a]2)(O)2	119.8828	1.096	4	119.8828	1.202	4	120.6580	2.165	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	121.7440	0.000	1	121.7440	0.000	1	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.0810	0.000	1	123.0810	0.000	1	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.0325	0.046	2	122.0280	0.057	4	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.7340	0.000	1	122.0280	0.057	4	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.3130	0.000	1	122.0280	0.057	4	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.8205	0.409	2	121.8205	0.168	2	122.0722	0.228	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.6670	0.000	1	118.6670	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.0005	0.199	2	121.0005	0.039	2	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.4890	0.088	2	120.4890	0.008	2	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.9790	0.000	1	120.9790	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	119.6040	0.000	1	119.6040	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	118.9340	0.000	1	118.9340	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	120.5530	0.000	1	120.6332	0.710	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.5840	0.000	1	120.6332	0.710	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.0190	0.000	1	120.6332	0.710	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<1>,1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.4690	0.000	1	120.6332	0.710	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.5870	1.493	2	120.6332	0.710	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]C)(C[6a]C[6a]N){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7910	0.000	1	120.7910	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.4505	0.156	2	120.6026	0.183	5	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.0720	0.000	1	120.6026	0.183	5	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.0200	0.175	2	120.6026	0.183	5	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	119.9270	0.000	1	119.9270	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.9670	1.107	2	120.7588	0.918	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.7100	0.010	2	120.7588	0.918	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.5995	0.501	2	120.7588	0.918	6	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2530	0.000	1	121.2530	0.000	1	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3850	0.000	1	119.9825	0.324	2	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.5800	0.000	1	119.9825	0.324	2	120.4821	0.643	30	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.3035	0.573	2	120.3035	0.329	2	120.3035	0.329	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.0825	0.392	2	121.0825	0.154	2	122.4590	4.290	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	122.2330	0.000	1	122.2330	0.000	1	122.4590	4.290	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(COO){1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	125.4380	0.000	1	125.4380	0.000	1	122.4590	4.290	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,7|C<3>}	N(C[6a]C[6a]2)(H)2	120.3010	0.000	1	120.3010	0.000	1	122.0420	4.798	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)2	120.8370	0.000	1	121.3415	0.509	2	122.0420	4.798	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)2	121.8460	0.000	1	121.3415	0.509	2	122.0420	4.798	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(NHH){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	125.1840	0.000	1	125.1840	0.000	1	122.0420	4.798	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.2940	0.000	1	122.2940	0.000	1	121.5726	0.867	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.9050	0.000	1	121.4885	0.681	2	121.5726	0.867	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.0720	0.000	1	121.4885	0.681	2	121.5726	0.867	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.3210	0.000	1	122.3210	0.000	1	121.5726	0.867	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.2710	0.000	1	120.2710	0.000	1	121.5726	0.867	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.0910	0.371	10	122.0910	0.138	10	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCO){3|C<3>}	N(C[6a]C[6a]2)(H)2	120.3650	0.322	2	120.3650	0.104	2	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO){1|C<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.7720	0.124	3	120.3160	0.842	4	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(COO){3|C<3>}	N(C[6a]C[6a]2)(H)2	118.9480	0.000	1	120.3160	0.842	4	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.4200	0.000	1	122.4200	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5140	0.000	1	120.5140	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9420	0.318	3	122.5455	0.696	4	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3560	0.000	1	122.5455	0.696	4	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.2450	0.000	1	122.4328	0.242	20	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.3650	0.000	1	122.4328	0.242	20	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.3881	0.478	17	122.4328	0.242	20	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.4490	0.000	1	122.4328	0.242	20	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.0090	0.000	1	122.0090	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.2215	0.094	2	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.5330	0.000	1	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.9440	0.000	1	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.3160	0.445	2	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.6230	0.044	2	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.2235	0.585	2	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9950	0.000	1	122.2945	0.513	11	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7100	0.000	1	120.7100	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.6072	0.604	4	122.7519	0.349	31	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.8140	0.570	26	122.7519	0.349	31	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.7150	0.000	1	122.7519	0.349	31	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.1880	0.000	1	122.1880	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9141	0.679	8	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.8550	0.651	3	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.8970	0.049	2	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.0820	0.000	1	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.8220	0.000	1	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.6870	0.874	2	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	123.2315	0.294	4	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9362	1.149	29	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.4470	0.810	2	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.1562	0.273	4	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	124.1277	1.015	3	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.7260	0.000	1	122.9942	0.883	60	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.4280	0.000	1	122.4280	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.7622	0.797	4	123.7622	0.635	4	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	123.6960	0.000	1	123.6960	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.7545	0.674	2	120.7545	0.454	2	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0720	0.000	1	121.0720	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.2320	0.055	2	121.2320	0.003	2	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CCO){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.7400	0.000	1	121.7400	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.4630	0.000	1	122.8870	0.360	2	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(COO){1|C<2>,1|C<3>}	N(C[6a]C[6a]2)(H)2	123.3110	0.000	1	122.8870	0.360	2	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.1740	0.000	1	122.1740	0.000	1	122.5660	0.962	162	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.1163	0.383	4	120.1163	0.147	4	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3510	0.000	1	119.3510	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.6770	0.000	1	118.6770	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5760	0.000	1	119.5760	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8020	0.604	23	119.8020	0.365	23	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.0450	0.000	1	119.0450	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8630	0.000	1	119.8630	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7988	0.794	6	120.7988	0.631	6	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.7220	0.000	1	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6950	0.000	1	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2360	0.000	1	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8323	0.429	4	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.0330	0.386	4	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6194	0.699	46	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.3002	0.853	5	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9930	0.000	1	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.6270	0.000	1	120.7614	0.553	64	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3060	0.000	1	121.0920	1.236	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8780	0.000	1	121.0920	1.236	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0640	0.000	1	119.7328	0.680	5	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.4040	0.000	1	119.7328	0.680	5	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0653	0.507	3	119.7328	0.680	5	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.7410	0.000	1	121.1356	0.391	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2837	0.664	6	121.1356	0.391	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCP){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.6420	0.000	1	121.1356	0.391	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.8950	0.000	1	119.8950	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3475	0.384	2	119.3475	0.147	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3760	0.000	1	120.2222	0.173	6	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.1914	0.457	5	120.2222	0.173	6	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9815	0.115	2	119.9815	0.013	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2805	0.073	2	120.2805	0.005	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2430	0.000	1	121.2430	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6105	0.968	11	121.2196	0.716	65	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.6951	0.783	10	121.2196	0.716	65	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0160	0.774	43	121.2196	0.716	65	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.9220	0.000	1	121.2196	0.716	65	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.2510	0.000	1	123.0307	8.191	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.5090	0.000	1	123.0307	8.191	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	126.3320	0.000	1	123.0307	8.191	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.3030	0.000	1	120.0024	0.397	45	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2630	0.000	1	120.0024	0.397	45	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.2080	0.000	1	120.0024	0.397	45	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9841	0.614	42	120.0024	0.397	45	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8700	0.000	1	119.8700	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.4560	0.000	1	119.4560	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0180	0.000	1	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.9910	0.000	1	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5595	0.911	20	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.2527	0.470	3	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.6200	0.000	1	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.2490	0.000	1	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	120.3833	1.081	4	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9697	0.795	60	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.0048	0.748	5	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.0360	0.000	1	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.1058	0.769	6	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.4232	0.834	4	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3306	0.984	5	120.1481	0.679	112	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3570	0.000	1	119.3570	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2762	0.801	6	120.3533	0.346	15	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.5744	0.282	7	120.3533	0.346	15	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8110	0.438	2	120.3533	0.346	15	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.7940	0.000	1	119.7940	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0313	0.776	20	120.0313	0.603	20	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.5070	0.246	4	118.5070	0.060	4	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CN[5]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8200	0.683	2	118.8200	0.467	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.8410	0.240	2	119.5514	0.130	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.4235	0.430	4	119.5514	0.130	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.5175	0.257	2	119.5514	0.130	8	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.0360	0.000	1	118.0360	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.1890	0.000	1	119.2710	0.091	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.0190	0.000	1	119.2710	0.091	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.6050	0.000	1	119.2710	0.091	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|Br<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	117.9600	0.000	1	118.9050	1.314	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.3775	1.135	2	118.9050	1.314	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.7960	0.000	1	118.7960	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(CCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	118.9930	0.000	1	118.9930	0.000	1	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.2615	0.241	2	121.2615	0.058	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.4803	0.480	3	117.4803	0.231	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]N)2(CCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.8420	1.063	7	116.8420	1.130	7	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.2465	0.127	2	118.2465	0.016	2	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.4130	0.068	3	121.4130	0.005	3	120.2737	1.208	435	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.4910	0.284	2	120.4910	0.081	2	120.4910	0.081	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)2	121.5220	0.392	5	121.5535	0.385	8	121.4052	0.232	20	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)2	122.1430	0.581	2	121.5535	0.385	8	121.4052	0.232	20	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.5320	0.000	1	121.5535	0.385	8	121.4052	0.232	20	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	N(C[6a]C[6a]2)(O)2	121.2022	0.290	10	121.2022	0.084	10	121.4052	0.232	20	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.8275	0.095	2	121.8275	0.009	2	121.4052	0.232	20	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	119.0240	0.000	1	119.0240	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]S)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]S){1|C<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	120.5860	0.000	1	120.5860	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.3240	0.000	1	121.3240	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N){1|C<2>,3|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	120.4250	0.000	1	120.4250	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.5870	0.000	1	121.5870	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.6483	0.298	3	120.6483	0.089	3	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	119.7570	0.000	1	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	123.2400	0.000	1	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.2430	0.000	1	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	121.5230	0.079	2	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	121.0840	0.000	1	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.2580	0.000	1	121.6611	1.537	7	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	121.0710	0.000	1	121.0710	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.7540	0.000	1	123.7540	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.5140	1.107	2	122.5140	1.226	2	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.8530	0.000	1	123.8530	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	118.9220	0.000	1	118.9220	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.5930	0.000	1	120.6583	0.052	3	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	120.6910	0.314	2	120.6583	0.052	3	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]C){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.0650	0.324	2	120.0650	0.105	2	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	121.3430	0.000	1	121.3820	0.003	2	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){1|C<2>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)2	121.4210	0.000	1	121.3820	0.003	2	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(NHH){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.6550	0.000	1	122.6550	0.000	1	121.2645	1.673	29	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.6770	0.000	1	120.6770	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N){1|F<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.9190	0.000	1	120.1900	1.063	2	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N){2|F<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.4610	0.000	1	120.1900	1.063	2	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.6260	0.000	1	119.6260	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.3535	0.375	2	120.5367	0.212	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.7200	0.601	2	120.5367	0.212	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]N){1|F<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.7700	0.000	1	119.7700	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.0720	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.9930	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.2905	0.022	2	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.9540	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.1383	0.177	3	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.6540	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.0550	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.8475	0.148	2	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.7033	0.293	3	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.3545	0.404	2	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.4430	0.889	3	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.3000	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|F<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.5930	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.7640	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.5320	0.314	3	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	120.6020	0.006	2	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.9860	0.000	1	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.4068	0.323	5	120.7072	0.409	34	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.7930	0.000	1	120.4275	0.401	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.3057	0.716	3	120.4275	0.401	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2{2|H<1>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.7210	0.000	1	120.7210	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]N){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	120.4720	0.000	1	120.4720	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.6670	0.000	1	120.0380	0.413	3	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	119.7235	0.483	2	120.0380	0.413	3	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6a]N[6a]2){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.7090	0.000	1	119.7090	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	119.2450	0.000	1	119.2450	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.2820	0.000	1	121.2820	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.5800	0.000	1	120.5800	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	119.0740	0.000	1	119.0740	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	117.3990	0.154	2	117.2503	0.078	3	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|N<3>}	N(C[6a]C[6a]2)(O)2	116.9530	0.000	1	117.2503	0.078	3	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.6970	1.261	2	121.6970	1.591	2	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.8570	0.000	1	118.8570	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.8730	0.000	1	119.8730	0.000	1	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(NOO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,2|F<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	118.6090	0.027	2	118.9535	0.226	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)2(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(NOO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|F<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	119.2980	0.451	2	118.9535	0.226	4	120.2829	1.077	68	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	118.1265	0.078	2	118.1265	0.006	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	124.2490	0.000	1	124.2490	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.8490	0.000	1	123.8490	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.6380	0.000	1	118.6380	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.4790	0.000	1	119.3625	0.027	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.2460	0.000	1	119.3625	0.027	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	118.7854	0.436	7	118.7854	0.190	7	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	125.6610	0.000	1	125.1935	0.437	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	124.7260	0.000	1	125.1935	0.437	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6980	0.000	1	118.6980	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.2930	0.000	1	124.0919	0.236	9	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	124.2238	0.303	5	124.0919	0.236	9	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	124.7160	0.000	1	124.0919	0.236	9	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	123.8495	0.538	2	124.0919	0.236	9	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6110	0.000	1	121.6110	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4810	0.000	1	120.5968	0.532	13	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7790	0.000	1	120.5968	0.532	13	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.2480	0.513	5	120.5968	0.532	13	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8536	0.896	5	120.5968	0.532	13	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.9910	0.000	1	120.5968	0.532	13	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.7510	0.000	1	119.5435	0.086	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.3360	0.000	1	119.5435	0.086	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4067	0.300	3	121.4067	0.090	3	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.2490	0.000	1	120.7572	0.583	6	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0588	0.215	5	120.7572	0.583	6	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.2925	0.169	2	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2060	0.000	1	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.9745	0.060	2	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8063	1.044	3	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.6150	0.171	2	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.0320	0.000	1	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.3540	0.000	1	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.4780	0.154	2	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2190	0.308	3	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.0340	0.000	1	120.0234	0.278	18	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.3100	0.000	1	121.3100	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	125.9180	0.195	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	125.6060	0.000	1	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	125.4690	0.000	1	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	123.9970	0.577	3	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.4880	0.365	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.8175	0.235	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	124.7185	0.446	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	125.4230	0.000	1	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	124.5385	0.554	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	124.9820	0.284	3	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	125.5277	0.268	4	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	125.6115	0.276	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.7785	0.945	4	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	124.7135	0.445	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	125.8385	0.702	2	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	125.3577	0.246	4	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	125.4450	0.000	1	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	126.7880	0.000	1	125.0670	0.583	39	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.4520	0.000	1	118.4520	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0310	0.000	1	121.0310	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	126.3360	0.000	1	126.3360	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	117.4080	0.000	1	117.4080	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.6250	0.000	1	119.6250	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.6520	0.000	1	118.6520	0.000	1	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	122.7880	3.219	3	123.3680	5.018	6	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	125.0930	0.000	1	123.3680	5.018	6	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	123.3755	0.616	2	123.3680	5.018	6	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	123.1675	0.064	2	122.0840	2.492	11	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	121.8432	1.660	9	122.0840	2.492	11	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.4170	0.000	1	121.0730	1.790	8	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	122.4343	1.235	3	121.0730	1.790	8	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)2(NHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.2160	0.430	4	121.0730	1.790	8	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	123.2718	0.776	5	123.2718	0.603	5	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	126.5125	0.025	2	126.5125	0.001	2	122.3013	6.310	147	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.7190	0.190	2	121.7190	0.036	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(O)2	117.7458	0.415	6	117.7458	0.173	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.6130	0.000	1	121.6130	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.9030	0.000	1	121.2990	0.730	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.6950	0.000	1	121.2990	0.730	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9687	0.980	6	121.9687	0.961	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	N(C[6a]C[6a]2)(O)2	117.8650	0.000	1	117.8650	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9470	0.000	1	121.9470	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.0370	0.689	2	121.2173	0.376	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	121.3975	0.723	2	121.2173	0.376	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.4650	0.208	2	119.4650	0.043	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	N(C[6a]C[6a]2)(O)2	118.8140	0.000	1	118.8140	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	120.8135	0.363	2	120.9290	0.106	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.1600	0.000	1	120.9290	0.106	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.8630	0.000	1	117.8630	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4210	0.000	1	118.8860	0.432	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	119.3510	0.000	1	118.8860	0.432	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.4090	0.000	1	118.4090	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.5600	0.000	1	117.5600	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|Cl<1>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	119.9370	0.000	1	119.9370	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.5355	0.118	2	121.7873	0.197	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.2910	0.000	1	121.7873	0.197	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0690	0.000	1	120.8500	0.096	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6310	0.000	1	120.8500	0.096	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3350	0.000	1	121.3350	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.7010	0.000	1	121.6287	0.420	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8020	0.000	1	121.6287	0.420	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.0060	0.536	2	121.6287	0.420	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.4020	0.000	1	121.2917	0.957	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7365	0.255	2	121.2917	0.957	3	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.3250	0.000	1	121.5424	0.144	10	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5578	0.335	5	121.5424	0.144	10	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3240	0.017	2	121.5424	0.144	10	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3310	0.228	2	121.5424	0.144	10	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0500	0.000	1	122.0500	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	123.8260	0.000	1	121.9937	1.258	13	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1806	1.029	5	121.9937	1.258	13	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4620	0.553	2	121.9937	1.258	13	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.9630	0.000	1	121.9937	1.258	13	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3255	1.115	4	121.9937	1.258	13	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8520	0.722	3	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7690	0.383	2	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7580	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.7130	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	123.3740	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	123.0459	0.363	29	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0479	0.448	12	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.9500	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1825	0.490	4	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8540	0.422	4	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.7380	0.134	3	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	120.9940	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9287	0.729	69	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	123.0770	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.6220	0.000	1	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0675	0.587	4	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7676	0.597	27	122.1459	0.564	164	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.1420	0.000	1	122.5265	0.404	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1722	0.407	4	122.5265	0.404	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.3280	0.000	1	122.5265	0.404	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2210	0.000	1	121.5890	0.271	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9570	0.000	1	121.5890	0.271	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8465	0.378	2	121.8465	0.143	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	121.7600	0.000	1	121.7600	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.4620	0.000	1	122.0794	0.370	20	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9702	0.669	15	122.0794	0.370	20	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.4270	0.000	1	122.0794	0.370	20	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.3823	0.175	3	122.0794	0.370	20	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0050	0.000	1	122.0050	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8705	0.251	2	121.8705	0.063	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2300	0.000	1	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.7580	0.225	2	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.8349	0.439	32	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	122.3970	0.000	1	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8402	0.445	5	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7710	0.000	1	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<6>}	N(C[6a]C[6a]2)(O)2	121.7580	0.000	1	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9077	0.246	3	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0510	0.579	6	122.4927	0.371	52	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCoC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCoC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.7630	0.000	1	122.7630	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCuC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3235	0.972	2	120.3235	0.945	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9525	0.306	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.4630	0.164	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5400	0.000	1	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5800	0.146	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.4903	0.574	3	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9793	0.367	3	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4118	0.309	5	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9202	0.468	4	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3280	0.079	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.1170	0.000	1	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	121.7320	0.000	1	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.4540	2.664	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.1075	0.050	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5743	1.323	4	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.2030	0.000	1	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6325	0.083	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	120.3070	0.000	1	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3510	0.075	2	121.6521	0.567	40	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7498	0.300	4	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8030	0.000	1	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0325	0.394	186	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1127	0.287	7	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.2190	0.000	1	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9017	0.299	19	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8210	0.273	2	122.0165	0.146	220	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9260	0.000	1	121.9260	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7005	0.308	2	121.9360	0.201	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0223	0.604	3	121.9360	0.201	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1480	0.000	1	121.9360	0.201	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.3330	0.000	1	122.3330	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5380	0.000	1	121.5380	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NNiC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NNiC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1990	0.000	1	121.1990	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.5970	0.001	2	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.1530	0.000	1	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	122.0785	0.023	2	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.5858	0.554	6	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.0152	0.589	8	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0000	0.204	2	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.0465	0.753	2	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.4543	0.206	3	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.3776	0.602	7	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3153	0.905	3	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5699	0.711	7	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Ir<7>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	123.9910	0.000	1	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Ir<7>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.5810	0.000	1	121.7944	0.568	45	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.7620	0.000	1	122.7620	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7290	0.000	1	121.7290	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9160	0.000	1	119.9160	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NCC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)2(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5605	0.887	2	120.5605	0.788	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9830	0.000	1	121.9830	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC[5a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3017	0.779	4	119.3017	0.607	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.7780	0.000	1	121.6488	0.455	5	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6165	0.775	4	121.6488	0.455	5	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6530	0.000	1	121.5163	0.624	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.1010	0.616	3	121.5163	0.624	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0710	0.443	2	121.5163	0.624	6	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5365	0.687	14	121.5365	0.473	14	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5970	0.000	1	121.5970	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2330	0.133	2	121.2330	0.018	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	123.5110	0.000	1	123.5110	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|O<2>}	N(C[6a]C[6a]2)(O)2	121.7060	0.004	2	121.7060	0.000	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(O)2	118.3610	0.000	1	118.3610	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5435	0.185	2	122.5435	0.034	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	122.1480	0.000	1	122.1480	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.1220	0.000	1	119.1220	0.000	1	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.6845	0.067	2	119.6845	0.005	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.9420	0.224	4	117.9420	0.050	4	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	121.1780	1.898	2	121.1780	3.602	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.7110	0.723	2	120.7110	0.522	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.5230	0.113	2	119.3652	1.866	11	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.5523	1.454	9	119.3652	1.866	11	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)2(NOO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.0908	0.281	5	119.0908	0.079	5	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.3017	1.474	3	118.5832	3.147	8	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	115.7960	0.000	1	118.5832	3.147	8	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(NHH){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.4912	1.459	4	118.5832	3.147	8	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(O)2	119.4870	0.119	2	119.4870	0.014	2	121.7456	1.229	722	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|C<3>,1|C<4>,6|H<1>}	N(C[6a]C[6a]2)(O)2	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N(C[6a]C[6a]2)(H)2	121.4710	0.000	1	121.4710	0.000	1	121.4710	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,3|C<3>,5|H<1>}	N(C[6a]C[6a]2)(O)2	124.0720	0.000	1	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(O)2	121.0790	0.000	1	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.7290	0.000	1	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.7635	0.368	4	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.9443	0.387	3	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.9810	0.000	2	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1900	0.000	1	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N(C[6a]C[6a]2)(O)2	120.9385	0.658	2	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.9650	0.000	1	121.9851	0.871	16	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N(C[6a]C[6a]2)(O)2	120.2655	1.691	2	120.2655	2.858	2	121.7940	1.245	18	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.0324	0.037	5	122.0324	0.001	5	122.0324	0.001	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	120.7400	0.658	2	121.2380	0.960	3	120.1428	1.335	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	122.2340	0.000	1	121.2380	0.960	3	120.1428	1.335	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	N(C[6a]C[6a]2)(O)2	119.3660	0.678	4	119.4856	0.416	5	120.1428	1.335	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.9640	0.000	1	119.4856	0.416	5	120.1428	1.335	8	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(O)2	120.9550	0.000	1	120.9550	0.000	1	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(O)2	122.0960	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(O)2	122.3045	0.520	2	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(O)2	124.4500	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(O)2	123.4550	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	124.2910	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	123.3310	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9550	0.000	1	122.7734	2.143	8	122.5713	2.243	9	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2385	0.207	4	120.2385	0.043	4	120.3102	0.058	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.5970	0.000	1	120.5970	0.000	1	120.3102	0.058	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.0130	0.297	2	120.0130	0.088	2	119.5997	0.557	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(O)2	118.7730	0.000	1	118.7730	0.000	1	119.5997	0.557	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO){1|C<2>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	N(C[6a]C[6a]2)(O)2	118.5530	0.000	1	118.5530	0.000	1	118.5530	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6990	0.000	1	121.6990	0.000	1	122.0639	0.211	7	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1463	0.596	4	122.1247	0.222	6	122.0639	0.211	7	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.0815	0.196	2	122.1247	0.222	6	122.0639	0.211	7	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	119.1642	0.529	4	119.1642	0.280	4	119.1642	0.280	4	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	120.7710	0.000	1	120.7710	0.000	1	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	119.8930	0.000	1	120.5550	0.876	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	121.2170	0.000	1	120.5550	0.876	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.6050	1.080	2	120.6050	1.167	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	121.7550	0.000	1	121.3585	0.314	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.9620	0.000	1	121.3585	0.314	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	122.3830	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.5520	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	121.6160	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(O)2	123.3540	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.4460	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.8660	0.305	2	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	122.3930	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	122.4425	0.735	10	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.7190	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.3010	0.503	2	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.1746	0.432	12	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	122.6210	0.000	1	121.7923	0.825	34	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	118.6750	0.417	2	118.6750	0.174	2	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[5a])2(NOO)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])2(NOO){2|N<2>,2|N<3>,3|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N(C[6a]C[6a]2)(O)2	119.1703	1.081	12	119.1703	1.168	12	120.9843	2.147	55	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(O)2	122.4010	0.000	1	122.4010	0.000	1	122.3298	0.054	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.0450	0.000	1	122.3120	0.069	4	122.3298	0.054	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.4010	0.238	3	122.3120	0.069	4	122.3298	0.054	5	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(NHH){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	122.9533	0.381	3	122.9533	0.145	3	122.9533	0.145	3	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.0495	0.897	2	121.0495	0.805	2	121.0495	0.805	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	S-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](SC[5x3,5x5,20x6]Ir)(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](SC[5x3,5x5,20x6]Ir)(C[6a]C[6a]N)2{1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]N)(NHH){1|C<3>,1|N<2>,1|O<1>,2|S<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]S)(C[6a]N[6a]N){1|C<2>,1|N<3>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCO){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.6410	0.000	1	122.6410	0.000	1	122.3910	0.890	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.3540	0.000	1	122.0075	0.240	2	122.3910	0.890	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.6610	0.000	1	122.0075	0.240	2	122.3910	0.890	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	121.7800	0.287	2	121.7800	0.082	2	122.3910	0.890	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CHO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	124.1300	0.000	1	124.1300	0.000	1	122.3910	0.890	6	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6980	0.000	1	122.6980	0.000	1	122.6980	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	122.2980	0.000	1	122.2980	0.000	1	123.3290	2.126	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	124.3600	0.000	1	124.3600	0.000	1	123.3290	2.126	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]N[5a,6a]C[6a])(H)2	128.2040	0.000	1	128.2040	0.000	1	128.2040	0.000	1	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	N(C[6a]N[5a,6a]C[6a])(H)2	127.3080	0.362	2	127.3080	0.131	2	127.3080	0.131	2	121.3898	2.535	1829	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.0170	0.000	1	119.0170	0.000	1	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.1030	0.000	1	120.1030	0.000	1	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	119.6530	0.000	1	119.6530	0.000	1	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	120.9160	0.000	1	120.6998	0.563	9	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.6728	0.797	8	120.6998	0.563	9	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	120.4757	0.567	3	120.4757	0.321	3	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	120.1250	0.000	1	120.1250	0.000	1	120.4139	0.573	16	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	120.2820	0.000	1	120.2820	0.000	1	119.5062	2.231	4	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	117.8200	0.000	1	117.8200	0.000	1	119.5062	2.231	4	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	119.9615	1.684	2	119.9615	2.835	2	119.5062	2.231	4	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]O[6a]O)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(OH)(H)	121.1360	0.049	2	121.1360	0.002	2	121.1360	0.002	2	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	125.6860	0.000	1	125.6860	0.000	1	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	123.2290	0.000	1	123.2935	0.525	163	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	123.1620	0.444	2	123.2935	0.525	163	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	123.3043	0.743	147	123.2935	0.525	163	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	123.1957	0.583	13	123.2935	0.525	163	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5])(H)	122.9490	0.355	15	122.9490	0.126	15	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	123.7325	0.664	2	122.8650	0.290	30	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	123.4360	0.000	1	122.8650	0.290	30	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6])(H)	122.6838	0.498	17	122.8650	0.290	30	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(NC[6])(H)	123.0491	0.335	7	122.8650	0.290	30	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	122.6933	0.555	3	122.8650	0.290	30	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(H)	122.9600	0.000	1	122.9600	0.000	1	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]N)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NC)(H)	122.9583	0.978	12	122.9583	0.957	12	123.2034	0.536	222	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRhH)	N(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NRhH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(ORh)(O)	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OLi2)	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OLi2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OLi)(O)	121.5080	0.000	1	121.5080	0.000	1	121.9320	0.360	2	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi2)	N(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ONi2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(ONi)(O)	122.3560	0.000	1	122.3560	0.000	1	121.9320	0.360	2	122.9228	1.285	248	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	120.2960	0.000	1	120.2960	0.000	1	120.2960	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CCO)(H)	118.0180	0.000	1	118.0180	0.000	1	118.0180	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.2340	5.905	4	122.2340	34.873	4	122.2340	34.873	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	122.8830	0.000	1	122.8830	0.000	1	122.8830	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	126.3890	0.000	1	126.3890	0.000	1	126.3890	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	117.3700	0.571	2	117.3700	0.326	2	117.3700	0.326	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	N(C[6a]C[6a]2)(CHO)(H)	118.2380	0.000	1	118.2380	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.7850	0.120	3	120.7850	0.014	3	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7530	0.000	1	120.7530	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5600	0.000	1	118.5600	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.7120	0.000	1	118.7120	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.2430	0.000	1	118.2430	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.8360	0.000	1	119.8360	0.000	1	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.6977	0.818	20	118.6977	0.669	20	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1500	0.027	2	119.1500	0.001	2	118.9985	0.979	31	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	116.6390	0.000	1	116.6390	0.000	1	120.2181	2.241	19	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.2450	0.791	15	120.5512	1.331	17	120.2181	2.241	19	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)2(H)	122.8475	0.766	2	120.5512	1.331	17	120.2181	2.241	19	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.1350	0.000	1	118.1350	0.000	1	120.2181	2.241	19	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(COO)(H)	119.7100	0.000	1	119.7100	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.4480	0.000	1	119.4480	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.4410	0.000	1	118.4410	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.3360	0.000	1	118.3360	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.0150	0.000	1	120.0150	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	124.1237	0.526	6	124.1237	0.277	6	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.6890	0.000	1	123.1538	2.912	4	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.6220	0.000	1	123.1538	2.912	4	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.6520	0.096	2	123.1538	2.912	4	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1490	0.000	1	119.1490	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.7200	0.000	1	118.7200	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.8365	0.783	2	119.8365	0.613	2	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.0220	0.000	1	119.0220	0.000	1	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.9730	0.049	2	117.9730	0.002	2	121.1735	6.640	22	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.3750	0.000	1	122.3750	0.000	1	121.7715	0.728	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mn<6>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.1680	0.000	1	121.1680	0.000	1	121.7715	0.728	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(NHN){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]N){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N){1|Cu<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)2(H)	120.7075	0.853	2	120.7075	0.728	2	120.7075	0.728	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CHO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5010	0.000	1	118.5010	0.000	1	121.1445	13.976	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.7880	0.000	1	123.7880	0.000	1	121.1445	13.976	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(COO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)2(H)	129.2420	0.000	1	129.2420	0.000	1	129.2420	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.1823	0.483	3	118.1823	0.233	3	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1040	0.000	1	119.1040	0.000	1	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CNN)(H)	121.2715	1.039	2	121.2715	1.079	2	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	122.0620	0.000	1	122.0620	0.000	1	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(COO)(H)	118.1825	0.067	2	118.2022	0.099	4	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){2|H<1>,7|C<3>}	N(C[6a]C[6a]2)(COO)(H)	118.2220	0.539	2	118.2022	0.099	4	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0080	0.000	1	121.2325	0.101	2	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<2>,3|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.4570	0.000	1	121.2325	0.101	2	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|N<4>,3|H<1>,5|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.3780	0.000	1	117.3780	0.000	1	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a]2)(COO)(H)	119.9990	0.000	1	119.9990	0.000	1	119.3938	2.676	15	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PC[6]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PC[6]2)(H)	121.6790	1.513	2	121.6790	2.290	2	121.6790	2.290	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(COO)(H)	117.7515	0.664	2	118.1527	0.635	7	118.1527	0.635	7	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6a]C[6a]2)(COO)(H)	118.5430	0.933	3	118.1527	0.635	7	118.1527	0.635	7	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,3|C<4>}	N(C[6a]C[6a]2)(COO)(H)	117.3430	0.000	1	118.1527	0.635	7	118.1527	0.635	7	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6a]C[6a]2)(COO)(H)	118.5940	0.000	1	118.1527	0.635	7	118.1527	0.635	7	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.6705	0.165	2	119.6705	0.027	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CHN){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	116.2400	0.000	1	116.2400	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.0670	0.000	1	120.0670	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	119.9670	0.000	1	119.9670	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	118.9460	0.000	1	118.9460	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.2980	0.000	1	119.7274	4.855	7	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1920	0.000	1	119.7274	4.855	7	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9204	1.083	5	119.7274	4.855	7	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	119.7738	0.453	8	119.7738	0.205	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.5540	0.000	1	120.5540	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7700	0.000	1	120.7700	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.9180	0.000	1	119.9180	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	122.0580	0.000	1	122.0580	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9460	0.000	1	118.9460	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7139	1.633	9	119.7139	2.665	9	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.4780	0.000	1	118.4780	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4050	0.000	1	120.4050	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	119.8900	0.484	2	119.8900	0.234	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(COO)(H)	117.9880	0.000	1	119.7520	6.223	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.5160	0.000	1	119.7520	6.223	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3,5]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3,5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9910	0.000	1	118.9910	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.1330	0.000	1	123.1330	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.1120	0.000	1	118.1120	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5725	0.349	2	117.5725	0.122	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.0750	0.000	1	120.0750	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.6098	1.024	25	117.6098	1.049	25	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.3583	1.386	22	118.3583	1.921	22	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.8310	0.000	1	119.8310	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.9180	0.000	1	116.9180	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.5473	0.728	8	116.5473	0.530	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.6900	0.000	1	118.7885	0.019	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8870	0.000	1	118.7885	0.019	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.5540	0.000	1	118.5540	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7190	1.312	2	120.7190	1.722	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7450	0.564	2	120.7450	0.318	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.7993	0.220	3	118.7993	0.049	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.1955	0.241	2	119.1955	0.058	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2140	0.000	1	118.3785	0.467	4	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4280	0.000	1	118.3785	0.467	4	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.3290	0.000	1	118.3785	0.467	4	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5430	0.000	1	118.3785	0.467	4	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.7590	0.000	1	117.7590	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9743	0.461	7	118.7490	0.588	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1720	0.000	1	118.7490	0.588	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.2600	0.000	1	117.7118	0.309	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.5625	0.620	4	117.7118	0.309	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.7610	0.000	1	117.7118	0.309	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.3360	0.000	1	117.4038	0.515	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4174	0.802	5	117.4038	0.515	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	117.9390	0.000	1	117.9390	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8665	0.204	2	118.8665	0.042	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.2451	0.931	22	119.2451	0.867	22	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	123.6800	0.000	1	123.6800	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.3632	0.558	10	118.3632	0.311	10	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.2793	0.811	3	118.2793	0.658	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1930	0.000	1	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.9585	0.641	2	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7580	0.250	4	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0950	0.137	2	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1967	0.525	3	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3827	1.681	10	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.8180	0.274	2	119.8077	2.196	24	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	123.4505	0.006	2	123.4505	0.000	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.6473	0.190	3	118.6473	0.036	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.4813	0.158	3	118.4813	0.025	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	124.6890	0.000	1	123.2217	5.874	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.7837	2.965	4	123.2217	5.874	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	123.5060	0.000	1	123.2217	5.874	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1470	1.742	10	118.1470	3.034	10	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.7335	0.717	8	118.7335	0.514	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]S)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]S){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]S)(H)	123.6950	0.000	1	123.6950	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	123.7210	0.192	2	123.7210	0.037	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.8950	0.000	1	119.8950	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.0350	0.000	1	120.0350	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.8465	0.272	2	119.0642	0.532	30	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7090	0.000	1	119.0642	0.532	30	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.0441	0.758	24	119.0642	0.532	30	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.4900	0.000	1	119.0642	0.532	30	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9875	1.199	2	119.0642	0.532	30	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.0993	0.645	3	119.0993	0.416	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	119.0380	0.000	1	119.0380	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	118.2914	1.242	5	118.2914	1.542	5	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2921	0.787	14	119.4781	0.831	18	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3170	0.000	1	119.4781	0.831	18	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4750	0.000	1	119.4781	0.831	18	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.8620	0.236	2	119.4781	0.831	18	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.8880	0.000	1	119.3055	0.855	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.3890	1.008	5	119.3055	0.855	6	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.1064	1.111	8	118.1064	1.235	8	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1450	0.000	1	119.1450	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CPdN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	122.4020	0.000	1	122.4020	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.2480	0.000	1	119.2480	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.6470	0.000	1	118.6470	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(CN[5]O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.9925	0.047	2	122.9925	0.002	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.0443	1.137	10	119.0443	1.292	10	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	119.5350	0.000	1	119.5350	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.7100	0.624	3	120.7100	0.389	3	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	128.4345	0.401	2	128.4345	0.161	2	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	120.6980	0.000	1	120.6980	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.4220	0.000	1	118.4220	0.000	1	119.1201	3.185	336	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	124.0420	0.000	1	124.0420	0.000	1	121.7685	10.338	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	119.4950	0.000	1	119.4950	0.000	1	121.7685	10.338	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.8780	0.000	1	122.3040	0.659	2	120.6513	3.901	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.7300	0.000	1	122.3040	0.659	2	120.6513	3.901	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.9985	0.342	2	118.9985	0.117	2	120.6513	3.901	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.5620	0.000	1	118.5620	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.7407	0.244	6	120.7407	0.059	6	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	118.4340	0.000	1	118.4340	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.6435	0.221	6	121.6435	0.049	6	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5,6]O)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5,5,6]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.5450	0.000	1	120.5450	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.6840	0.000	1	120.6840	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.0595	0.404	11	120.0595	0.163	11	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.5199	0.831	15	120.5199	0.691	15	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.6100	0.025	2	119.6100	0.001	2	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.5400	0.000	1	120.5400	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	121.2960	0.000	1	121.2960	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.8890	0.794	103	120.9321	0.653	117	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.7638	0.843	6	120.9321	0.653	117	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.6124	0.736	8	120.9321	0.653	117	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.5880	0.000	1	118.5880	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.5030	0.000	1	118.5030	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	120.1680	0.000	1	120.1680	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7275	0.729	2	119.7275	0.531	2	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	116.1260	0.000	1	116.1260	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){3|C<3>}	N(C[6a]C[6a]2)2(H)	121.4870	2.223	2	121.4870	4.942	2	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.7870	0.000	1	118.7870	0.000	1	120.7308	0.932	172	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.0330	0.000	1	124.0330	0.000	1	123.7735	0.135	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.5140	0.000	1	123.5140	0.000	1	123.7735	0.135	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.1650	0.000	1	123.0672	0.032	5	122.3012	3.546	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.0835	0.066	2	123.0672	0.032	5	122.3012	3.546	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	123.0020	0.322	2	123.0672	0.032	5	122.3012	3.546	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.4710	0.000	1	118.4710	0.000	1	122.3012	3.546	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:As-3:H-1:	C[6a](C[6a]C[6a]2)2(NAsH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(AsCl2)(H)	C[6a](C[6a]C[6a]2)2(NAsH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(AsCl2)(H)	119.5580	2.765	2	119.5580	7.644	2	119.5580	7.644	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]2)2(NBH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(BN[6]Br)(H)	C[6a](C[6a]C[6a]2)2(NBH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(BN[6]Br)(H)	119.6500	0.615	2	119.6500	0.378	2	119.6500	0.378	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.4140	0.000	1	118.4140	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1640	0.000	1	120.1640	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(COO)(H)	118.6790	0.000	1	118.6790	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,5|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.2510	0.606	3	117.6170	0.781	4	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(COO)(H)	118.7150	0.000	1	117.6170	0.781	4	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.3360	0.000	1	117.3360	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	122.7870	0.395	3	122.7870	0.156	3	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.1446	2.047	7	118.8564	2.841	11	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.9150	0.000	1	118.8564	2.841	11	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.3910	0.000	1	118.8564	2.841	11	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.0510	0.464	2	118.8564	2.841	11	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.7235	2.399	2	118.7235	5.756	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.2310	0.000	1	118.2310	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.9150	0.000	1	119.3049	0.591	7	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.5365	0.508	6	119.3049	0.591	7	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.4860	0.000	1	117.4860	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.3000	2.694	3	119.3000	7.256	3	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1900	0.000	1	119.1900	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CPS)(H)	119.4420	0.000	1	119.4420	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.7820	0.000	1	119.7820	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	117.5720	0.300	2	117.5720	0.090	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.3190	0.000	1	119.4286	1.650	5	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9560	0.588	4	119.4286	1.650	5	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9320	0.000	1	118.9320	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.4160	0.000	1	117.4160	0.000	1	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.9070	0.000	1	119.1015	0.076	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.2960	0.000	1	119.1015	0.076	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]N[6a]S[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(COO)(H)	119.9680	0.460	2	119.9680	0.211	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CHN)(H)	118.6995	0.845	2	118.6995	0.714	2	119.0672	2.494	54	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.3740	0.000	1	117.3740	0.000	1	118.3755	2.006	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.3770	0.000	1	119.3770	0.000	1	118.3755	2.006	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	120.2310	0.000	1	120.2310	0.000	1	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	120.3430	1.683	2	120.3430	2.832	2	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	119.0970	0.000	1	119.2121	0.680	8	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	118.8232	0.644	5	119.2121	0.680	8	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	119.9210	0.000	1	119.2121	0.680	8	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)2(H)	120.5630	0.000	1	119.2121	0.680	8	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	120.0817	0.223	3	120.0817	0.050	3	119.6328	0.852	14	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(NC[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)2(O)	118.8713	0.847	4	118.8713	0.717	4	118.8713	0.717	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H){1|C<3>,2|H<1>}	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	118.0325	0.039	2	118.0325	0.002	2	118.0325	0.002	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	122.3400	0.000	1	122.3400	0.000	1	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	121.7740	0.000	1	118.9480	5.993	3	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	117.5350	0.079	2	118.9480	5.993	3	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.9990	0.000	1	122.6472	0.379	5	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	123.5050	0.000	1	122.6472	0.379	5	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.2440	0.291	3	122.6472	0.379	5	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	122.3488	1.477	5	122.3488	2.182	5	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	122.9466	0.750	9	122.9466	0.562	9	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	121.5820	0.000	1	121.5820	0.000	1	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	123.5968	2.740	4	123.5968	7.508	4	122.3804	3.496	28	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	118.7780	0.000	2	118.7780	0.000	2	119.6750	2.414	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	121.4690	0.000	1	121.4690	0.000	1	119.6750	2.414	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCH)(H)	119.2680	1.092	2	119.2680	1.192	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	115.6420	0.000	1	115.6420	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.0000	0.000	1	121.0000	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6387	0.368	3	120.6387	0.135	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	117.2410	0.000	1	117.2410	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.9260	0.000	1	123.3590	0.375	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	123.7920	0.000	1	123.3590	0.375	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0165	0.990	4	121.0165	0.980	4	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2267	0.289	4	119.2267	0.084	4	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.1220	0.000	1	118.1220	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	117.7400	0.000	1	117.7400	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	124.1620	0.000	1	123.9365	0.102	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.7110	0.000	1	123.9365	0.102	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NAuC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NAuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.0540	0.000	1	118.0540	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	122.6349	0.485	9	122.6349	0.236	9	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.2130	0.000	1	119.5474	1.592	9	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.7142	1.238	8	119.5474	1.592	9	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	116.4930	0.000	1	116.4930	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	124.8430	0.000	1	125.3436	1.372	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	125.5565	1.191	4	125.3436	1.372	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCC)(H)	126.0480	0.000	1	125.3436	1.372	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	123.4260	0.000	1	125.3436	1.372	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	126.2060	0.000	1	125.3436	1.372	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.4200	0.000	1	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0670	0.656	4	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.2700	1.829	4	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9280	0.840	2	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.4420	0.000	1	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.6820	0.000	1	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.4399	2.173	23	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.0823	2.007	3	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.8520	1.626	2	120.7516	4.017	41	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.3380	1.325	3	122.3380	1.756	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	119.8244	1.488	5	119.8244	2.213	5	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	126.1990	0.000	1	126.1990	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	121.0688	1.785	10	121.0688	3.186	10	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.8468	2.771	4	120.4530	4.333	111	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4427	2.063	103	120.4530	4.333	111	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3238	2.517	4	120.4530	4.333	111	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	119.2995	0.794	2	119.2995	0.631	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CNN)(H)	122.3470	0.000	1	122.3470	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.0350	0.105	2	118.8312	1.663	130	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	118.6885	0.932	4	118.8312	1.663	130	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNO)(H)	118.3017	1.296	6	118.8312	1.663	130	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.8764	1.308	118	118.8312	1.663	130	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.0762	1.814	59	119.0904	3.254	61	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.9470	0.000	1	119.0904	3.254	61	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.0740	0.000	1	119.0904	3.254	61	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.4390	0.836	2	119.4390	0.699	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	123.4340	0.000	1	123.4340	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.8424	2.543	9	119.8424	6.468	9	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	123.3575	0.257	2	123.3575	0.066	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0560	0.000	1	122.0560	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	120.1940	0.000	1	118.5240	2.636	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	116.9510	0.000	1	118.5240	2.636	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.4270	0.000	1	118.5240	2.636	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.8990	0.000	1	117.8990	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	119.6780	0.000	1	119.6780	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]C)(H)	117.9290	0.000	1	117.9290	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.5185	0.207	2	121.5185	0.043	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	119.6560	0.000	1	119.6560	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.3730	0.000	1	116.3730	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	116.4030	0.000	1	117.2350	1.384	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.0670	0.000	1	117.2350	1.384	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.5650	0.912	4	119.5650	0.831	4	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.3160	0.000	1	119.3160	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.7810	1.440	3	118.7810	2.074	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	119.4607	0.590	3	119.4607	0.349	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4340	3.234	2	119.4340	10.461	2	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.6140	1.715	6	119.6140	2.941	6	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NIrC)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NIrC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.4950	0.000	1	120.4950	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NMoC)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NMoC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	119.0520	0.000	1	119.0520	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	121.6850	0.000	1	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.8840	1.184	2	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	123.3820	0.000	1	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	122.4743	1.983	3	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.2900	0.000	1	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.6221	1.226	10	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.0070	0.000	1	122.1987	1.940	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	121.5960	0.000	1	121.5960	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.0487	0.211	3	121.1985	0.120	4	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.6480	0.000	1	121.1985	0.120	4	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	121.6980	0.000	1	121.6980	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.0980	0.000	1	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.7260	0.000	1	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7020	0.000	1	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.4835	0.405	2	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.0835	0.368	2	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.3118	0.601	12	121.4948	0.671	19	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	122.8413	1.023	8	122.8413	1.046	8	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	122.4266	1.256	5	122.4266	1.576	5	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(COO)(H)	121.6190	0.000	1	121.1640	0.175	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.0760	0.000	1	121.1640	0.175	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.7970	0.000	1	121.1640	0.175	3	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.1440	0.000	1	120.1440	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	125.7130	0.000	1	125.7130	0.000	1	120.1247	4.563	525	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	124.0260	0.000	1	124.0260	0.000	1	124.0260	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	123.1210	0.752	2	123.1210	0.566	2	121.2033	4.193	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.7440	0.247	2	121.7440	0.061	2	121.2033	4.193	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.7450	0.559	2	118.7450	0.312	2	121.2033	4.193	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	117.4469	0.893	11	117.4469	0.797	11	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	118.0490	0.000	1	118.0490	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	118.0700	0.000	1	118.0700	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	125.6780	0.000	1	125.6780	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)2(H)	124.5570	0.000	1	124.2755	0.158	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	123.9940	0.000	1	124.2755	0.158	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7040	0.000	1	119.7040	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	119.7040	0.089	2	119.7040	0.008	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.3560	0.000	1	118.3560	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.7835	0.657	6	118.7835	0.432	6	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	124.2090	0.231	2	124.2090	0.053	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.3200	0.290	2	119.4813	2.152	3	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	117.8040	0.000	1	119.4813	2.152	3	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.2405	1.546	2	118.2405	2.391	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	116.6040	0.000	1	119.1030	2.795	4	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.9360	0.173	3	119.1030	2.795	4	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3420	0.000	1	119.3420	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	123.3885	1.109	2	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.5059	1.106	30	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	123.0900	0.000	1	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	123.9190	0.000	1	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	123.3610	0.000	1	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.1526	0.998	5	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	124.2650	0.000	1	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	123.0427	0.175	3	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	123.1947	0.636	6	122.7130	1.075	50	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOsN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOsN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.9150	0.000	1	119.9150	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	124.4955	0.387	2	124.4955	0.150	2	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.6460	0.000	1	118.6460	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	123.1050	2.005	4	123.1050	4.021	4	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	126.2200	0.000	1	126.2200	0.000	1	121.3749	6.254	97	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	122.6060	0.221	2	122.9534	0.527	5	123.1660	0.696	10	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	123.0930	0.000	1	122.9534	0.527	5	123.1660	0.696	10	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NCH)(H)	123.2310	1.283	2	122.9534	0.527	5	123.1660	0.696	10	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NHH)(H)	123.6093	0.257	3	123.6093	0.066	3	123.1660	0.696	10	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]N)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCC)(H)	C[6a](C[6a]C[6a]N)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NCC)(H)	123.0325	1.781	2	123.0325	3.173	2	123.1660	0.696	10	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	122.7200	0.000	1	122.7200	0.000	1	122.7200	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	120.0397	2.099	4	120.0397	4.405	4	120.0397	4.405	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6,6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.6630	0.742	3	119.6630	0.550	3	119.6630	0.550	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N(C[6a]C[6a]2)2(H)	119.3800	0.000	1	119.3800	0.000	1	120.2270	0.828	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	120.1427	1.014	3	120.3964	0.820	5	120.2270	0.828	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	120.7770	0.861	2	120.3964	0.820	5	120.2270	0.828	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){3|C<3>,4|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.8110	0.000	1	118.8110	0.000	1	118.8110	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1770	0.000	1	116.5908	0.172	5	116.5908	0.172	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3760	0.000	1	116.5908	0.172	5	116.5908	0.172	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3740	0.000	1	116.5908	0.172	5	116.5908	0.172	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.5135	0.489	2	116.5908	0.172	5	116.5908	0.172	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	118.2120	0.000	1	118.2120	0.000	1	118.0907	0.810	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9240	0.000	1	118.9240	0.000	1	118.0907	0.810	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1360	0.000	1	117.1360	0.000	1	118.0907	0.810	3	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	118.4270	0.208	2	118.4270	0.043	2	119.3368	1.047	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.1400	0.000	1	119.9433	0.692	3	119.3368	1.047	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.3450	0.645	2	119.9433	0.692	3	119.3368	1.047	5	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2360	0.000	1	120.2360	0.000	1	119.2867	0.738	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.0968	0.807	5	119.0968	0.652	5	119.2867	0.738	6	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]Fe)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]Fe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(CCC)(H)	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N(C[6a]C[6a]2)(CCO)(H)	123.5855	0.448	2	122.5130	3.551	3	121.6760	5.170	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.3680	0.000	1	122.5130	3.551	3	121.6760	5.170	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1650	0.000	1	119.1650	0.000	1	121.6760	5.170	4	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	119.2580	0.899	2	119.2580	0.809	2	119.2580	0.809	2	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	120.4350	1.401	7	120.4350	1.964	7	120.4350	1.964	7	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CCO)(H)	122.5560	0.000	1	122.5560	0.000	1	122.5560	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	120.0624	4.411	1446	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(OH)	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)3	122.6825	0.476	2	122.6825	0.226	2	122.6825	0.226	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)3	119.5237	0.728	3	119.5237	0.530	3	119.5237	0.530	3	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CCO)2	121.7440	0.000	1	121.7440	0.000	1	121.4005	1.555	4	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	120.4850	0.000	1	120.4850	0.000	1	121.4005	1.555	4	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(COO)	123.0180	0.000	1	123.0180	0.000	1	121.4005	1.555	4	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	120.3550	0.000	1	120.3550	0.000	1	121.4005	1.555	4	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(NCH)	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.0581	0.566	109	119.0581	0.320	109	119.1728	0.974	112	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.6850	0.000	1	119.6850	0.000	1	119.1728	0.974	112	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[5a]O)	125.1680	0.052	2	125.1680	0.003	2	119.1728	0.974	112	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	118.4265	1.360	6	118.4265	1.848	6	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	119.3220	0.000	1	119.3220	0.000	1	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	121.7120	0.000	1	121.7120	0.000	1	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	121.3020	0.335	6	121.3020	0.112	6	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)3	121.0067	0.532	4	120.8429	0.965	10	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)3	120.7337	1.238	6	120.8429	0.965	10	120.3264	2.237	24	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PClC)	118.4470	0.000	1	118.4470	0.000	1	118.9575	0.521	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PClC)	119.4680	0.000	1	119.4680	0.000	1	118.9575	0.521	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(P[5]C[5]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(P[5]C[5]2)	120.7115	0.060	2	120.7115	0.004	2	120.7115	0.004	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	115.8840	0.000	1	115.8840	0.000	1	115.8840	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(COO)(NCH)	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)3	119.5840	0.000	1	120.8200	1.337	3	120.8200	1.337	3	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)3	121.4380	0.618	2	120.8200	1.337	3	120.8200	1.337	3	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]2)2(NPP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]2)2(NPP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(PCl2)2	119.4545	0.117	2	119.4545	0.014	2	119.4545	0.014	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)2	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(COO)(NCH)	117.3580	0.000	1	117.3580	0.000	1	117.3580	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.9275	0.544	2	119.9275	0.296	2	118.5612	2.682	12	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)3	120.5795	0.521	2	120.5795	0.272	2	118.5612	2.682	12	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	115.8210	0.236	2	115.8210	0.056	2	118.5612	2.682	12	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	118.8403	0.329	3	118.8403	0.108	3	118.5612	2.682	12	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	117.8527	0.111	3	117.8527	0.012	3	118.5612	2.682	12	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N(C[6a]C[6a]2)2(CCO)	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.9500	2.117	2	120.9500	4.482	2	120.9500	4.482	2	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(CC[6a]O)	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.4863	1.910	175	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(N[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.0000	0.000	1	119.0000	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.0140	0.000	1	121.0140	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5])	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	122.2180	0.000	1	122.2180	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	122.4030	0.000	1	122.4030	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.8410	0.000	1	116.8410	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	120.7013	1.285	3	120.7013	1.652	3	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	122.3240	0.000	1	122.3240	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	122.8745	0.421	4	122.8745	0.177	4	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	121.0010	0.000	1	121.0010	0.000	1	121.3145	3.329	14	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	119.2375	0.013	2	119.2375	0.000	2	119.2375	0.000	2	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	118.6135	0.446	8	118.8708	0.770	9	118.8156	0.631	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CCHH)	120.9290	0.000	1	118.8708	0.770	9	118.8156	0.631	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.5120	0.000	1	118.5120	0.000	1	118.8156	0.631	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	118.6230	0.000	1	118.6230	0.000	1	118.8156	0.631	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(PBCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PBCC)	119.4440	0.000	1	119.4440	0.000	1	119.8927	0.401	6	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PNiOO)	119.9243	0.752	4	119.9243	0.566	4	119.8927	0.401	6	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)2(PBCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PBCC)	120.2150	0.000	1	120.2150	0.000	1	119.8927	0.401	6	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:As-3:Si-4:	C[6a](C[6a]C[6a]2)2(NAsSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(AsCl2)(SiC3)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(AsCl2)(SiC3)	120.2835	0.192	2	120.2835	0.037	2	120.2835	0.037	2	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)2{3|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8900	0.404	6	119.8900	0.163	6	119.8900	0.163	6	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(CH3)	120.6350	1.106	2	120.6350	1.223	2	122.2760	1.131	27	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.5438	0.697	24	122.5438	0.486	24	122.2760	1.131	27	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	119.1320	0.000	1	119.1320	0.000	1	122.2760	1.131	27	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	117.3905	0.139	2	117.3905	0.019	2	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	121.1235	0.347	2	121.1235	0.121	2	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CCHH)	123.4570	0.000	1	123.4570	0.000	1	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(CH3)	123.6000	0.000	1	123.6000	0.000	1	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(NHS)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.6730	0.000	1	120.6730	0.000	1	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.7630	0.843	4	120.7630	0.710	4	120.7100	4.056	11	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	123.3630	0.547	2	123.3630	0.300	2	123.3630	0.300	2	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[4]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[4]C[4]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	121.2770	0.000	1	121.2770	0.000	1	121.2770	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1472	0.436	4	120.1472	0.190	4	120.1472	0.190	4	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.1035	0.869	2	120.1035	0.755	2	120.1035	0.755	2	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C){1|P<3>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CH3)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(CH3)	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1357	0.341	3	120.1357	0.117	3	120.1357	0.117	3	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	120.9039	2.791	98	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO){2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	122.9165	0.569	2	122.9165	0.324	2	122.9165	0.324	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(NCH){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a,6a]N)(C[6a]N[6a]H){4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(COO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	118.4760	0.000	1	118.4760	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)(COO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	123.8430	0.000	1	123.8430	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	116.7250	0.000	1	116.7250	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	125.5930	0.000	1	125.5930	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	117.1770	0.000	1	117.1770	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHN){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)	117.2500	0.000	1	117.2500	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CHO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	116.5880	0.000	1	116.5880	0.000	1	119.3789	13.929	7	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	120.2750	0.028	2	120.2750	0.001	2	120.2750	0.001	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]N){2|N<3>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]F)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NCH){3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,6|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.2150	0.000	1	122.2150	0.000	1	121.9080	0.188	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a]N[5a]S[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.6010	0.000	1	121.6010	0.000	1	121.9080	0.188	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	118.7780	1.049	2	118.7780	1.101	2	118.7780	1.101	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.4410	0.000	1	120.4410	0.000	1	120.4410	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N){2|H<1>,7|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,7|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	117.9753	1.234	3	117.9753	1.522	3	119.0366	2.952	5	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	121.0260	0.000	1	121.0260	0.000	1	119.0366	2.952	5	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PNOO)(H)	120.2310	0.000	1	120.2310	0.000	1	119.0366	2.952	5	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(COO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.6270	0.000	1	120.6270	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.9500	0.000	1	121.9500	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	125.0555	0.326	2	125.0555	0.106	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(H)	121.0870	0.000	1	121.0870	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.8550	0.000	1	121.1240	0.557	3	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.7585	0.559	2	121.1240	0.557	3	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.5570	0.000	1	121.5570	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.1560	0.000	1	121.1560	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.3020	1.047	4	121.3020	1.096	4	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.8110	0.000	1	121.4555	0.253	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.1000	0.000	1	121.4555	0.253	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.1270	0.000	1	120.1270	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.3780	0.000	1	120.3780	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	126.9450	0.000	1	126.1655	1.215	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	125.3860	0.000	1	126.1655	1.215	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	119.8470	0.000	1	119.8470	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.6900	0.064	2	121.6900	0.004	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	122.5380	0.000	1	122.5380	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(H)	122.8860	0.000	1	121.8870	0.826	3	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.3875	0.394	2	121.8870	0.826	3	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.3551	0.475	21	121.3551	0.226	21	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.6560	0.000	1	122.6740	0.001	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.6920	0.000	1	122.6740	0.001	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CN[5a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]HH)(H)	120.9670	0.000	1	120.9670	0.000	1	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	123.0310	1.616	2	123.0310	2.613	2	121.7561	1.877	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	122.1060	0.000	1	122.1060	0.000	1	122.1060	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	120.5080	0.000	1	120.5080	0.000	1	119.8185	0.951	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	119.1290	0.000	1	119.1290	0.000	1	119.8185	0.951	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CHO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.3380	0.000	1	117.3380	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.7720	0.000	1	118.7720	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1950	0.000	1	120.1950	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3240	0.000	1	120.3240	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.6830	0.000	1	120.6830	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.5635	1.235	4	120.5635	1.525	4	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.6616	0.107	8	118.6616	0.011	8	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3]O)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SNOO)(H)	117.9750	0.000	1	117.9750	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]O)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4850	0.000	1	118.4850	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8670	0.000	1	117.8670	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.4135	0.569	11	117.4135	0.324	11	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.7090	0.724	3	117.7090	0.524	3	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6775	0.316	2	120.6775	0.100	2	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.3410	0.000	1	119.3410	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)(H)	119.5870	0.000	1	119.5870	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.2129	0.458	9	119.2129	0.209	9	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8500	0.000	1	117.8500	0.000	1	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7236	0.526	5	119.7236	0.277	5	118.8213	1.450	53	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.6220	0.000	1	119.6220	0.000	1	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	119.0220	0.000	1	119.0220	0.000	1	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.3110	0.000	1	121.8638	12.749	5	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.2945	1.203	2	121.8638	12.749	5	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	125.7095	0.503	2	121.8638	12.749	5	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	119.4500	0.175	2	119.6160	0.098	3	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.9480	0.000	1	119.6160	0.098	3	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	119.9150	0.000	1	119.6130	0.182	2	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	119.3110	0.000	1	119.6130	0.182	2	120.5031	6.141	12	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){1|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	120.8585	0.363	2	120.3987	0.700	3	120.3987	0.700	3	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	119.4790	0.000	1	120.3987	0.700	3	120.3987	0.700	3	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SCOO)(H)	118.3755	1.199	4	118.3755	1.437	4	118.3755	1.437	4	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:Ga-1:	C[6a](C[6a]C[6a]2)2(NGaSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]2)2(NGaSi){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(SiC3)(Ga)	121.3890	3.373	2	121.3890	11.376	2	121.3890	11.376	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(SiC[5]CC)(H)	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCCH)(H)	119.3014	0.528	12	119.3014	0.279	12	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.0880	0.000	1	123.0880	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	122.0235	0.578	2	122.0235	0.334	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	121.4715	0.564	2	121.4715	0.318	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	119.8710	0.000	1	119.8710	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.3785	0.831	2	120.3785	0.690	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.9810	0.518	2	120.9810	0.268	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	121.4905	0.129	2	124.4841	7.104	10	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	122.3750	0.000	1	124.4841	7.104	10	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	124.7685	3.173	2	124.4841	7.104	10	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	125.9896	2.235	5	124.4841	7.104	10	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	119.9905	0.518	2	120.4970	0.904	3	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.5100	0.000	1	120.4970	0.904	3	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	117.3440	0.000	1	118.5508	0.889	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CCHH)(H)	117.4070	0.000	1	118.5508	0.889	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.3020	0.000	1	118.5508	0.889	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.2930	0.035	2	118.5508	0.889	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.6660	0.000	1	118.5508	0.889	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	126.2470	0.000	1	126.2470	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.6817	0.471	10	117.6817	0.222	10	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)(H)	117.9530	0.000	1	117.9530	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]CH)(H)	122.3090	0.000	1	122.3090	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.4975	0.528	2	119.4975	0.279	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.3520	0.000	1	119.3520	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	119.1450	0.000	1	119.1450	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	118.9290	0.298	3	118.5785	0.551	4	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.5270	0.000	1	118.5785	0.551	4	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.5060	0.000	1	119.5060	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	122.5840	0.000	1	122.7865	0.096	4	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	122.8540	0.341	3	122.7865	0.096	4	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	122.9867	0.330	3	123.2550	0.285	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	124.1270	0.000	1	123.2550	0.285	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	123.5610	0.000	1	123.2550	0.285	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCCH)(H)	122.8820	0.000	1	123.2550	0.285	6	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.2410	0.000	1	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.7217	0.349	22	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.4930	0.561	2	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	124.9330	0.000	1	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.8770	0.677	3	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(H)	123.9003	0.504	3	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	123.9079	0.571	25	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	124.4540	0.000	1	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	124.3090	0.563	25	123.6777	0.713	83	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]CH)(H)	123.5170	0.000	1	123.5170	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	123.8830	0.000	1	123.8830	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	123.2870	1.532	2	123.2870	2.346	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	123.2160	0.000	1	123.2160	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.5155	0.240	2	123.3726	0.795	5	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.4070	0.000	1	123.3726	0.795	5	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.8650	0.000	1	123.3726	0.795	5	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	124.5600	0.000	1	123.3726	0.795	5	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	124.8270	0.000	1	124.5120	0.198	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	124.1970	0.000	1	124.5120	0.198	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	124.5480	0.000	1	124.5480	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(NOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	123.2800	0.498	2	123.2800	0.248	2	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	125.9780	0.000	1	125.9780	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]N)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.0160	0.000	1	121.0160	0.000	1	122.3911	5.615	173	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[4]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[4]C[4]2H)(H)	123.8655	0.880	2	123.8655	0.775	2	123.8655	0.775	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.8785	1.660	6	118.8785	2.756	6	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	115.6885	0.834	2	115.6885	0.695	2	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5388	1.199	6	119.5388	1.438	6	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.3520	0.000	1	122.3520	0.000	1	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.9570	0.000	1	119.9570	0.000	1	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9490	0.000	1	118.9490	0.000	1	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.5830	0.000	1	119.0167	0.705	10	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.1760	0.712	9	119.0167	0.705	10	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	122.0590	0.000	1	122.0590	0.000	1	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.0180	0.051	2	122.2552	0.349	5	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.4133	0.776	3	122.2552	0.349	5	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(H)	119.6860	0.109	2	119.6860	0.012	2	119.6004	3.412	35	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.4920	0.000	1	119.4920	0.000	1	119.7700	0.155	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.0480	0.000	1	120.0480	0.000	1	119.7700	0.155	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2020	0.180	2	120.2020	0.032	2	120.2020	0.032	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	122.1290	0.000	1	122.1290	0.000	1	122.1290	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.6135	0.237	2	120.6135	0.056	2	120.6135	0.056	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<2>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.0960	0.000	1	120.8595	3.058	2	120.8595	3.058	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6230	0.000	1	120.8595	3.058	2	120.8595	3.058	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	124.5660	0.000	1	124.5660	0.000	1	124.5660	0.000	1	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	N[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	121.3305	0.261	2	121.3305	0.068	2	121.3305	0.068	2	121.2199	5.907	385	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(NO)	120.8850	0.000	1	120.8850	0.000	1	120.8850	0.000	1	122.7863	2.716	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NC)	123.6670	0.000	1	123.7370	0.010	2	123.7370	0.010	2	122.7863	2.716	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(NC)	123.8070	0.000	1	123.7370	0.010	2	123.7370	0.010	2	122.7863	2.716	3	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CHHO)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CHHO)(CCO)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CH3)(CHO)	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.5825	1.683	4	120.5825	2.831	4	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]N)(CNO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.6020	0.000	1	120.6020	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.1130	0.839	2	121.1130	0.703	2	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	121.4520	0.000	1	121.4520	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.7940	0.000	1	121.7940	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.2490	0.000	1	119.2490	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(COO)	120.3680	0.000	1	120.3680	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.9240	0.000	1	116.9240	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	122.3340	0.000	1	122.3340	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	122.1640	0.532	2	121.4608	0.567	8	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.2263	0.689	6	121.4608	0.567	8	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.9950	0.000	1	120.9950	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	123.1380	0.000	1	123.1380	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	122.4790	0.119	2	122.4790	0.014	2	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	122.0980	0.000	1	122.0980	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	119.0200	0.509	2	119.0200	0.259	2	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CNO)	120.8140	0.000	1	120.8140	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.3670	0.000	1	121.3670	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(COO)	123.3890	0.000	1	123.3890	0.000	1	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.0950	1.047	2	119.0950	1.095	2	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.2940	0.283	3	120.2940	0.080	3	120.9121	2.066	36	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(CCC)	121.1390	0.000	1	120.6415	0.495	2	120.3922	0.233	6	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(CCC)	120.1440	0.000	1	120.6415	0.495	2	120.3922	0.233	6	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.4270	0.000	2	120.4270	0.000	2	120.3922	0.233	6	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	120.1080	0.619	2	120.1080	0.384	2	120.3922	0.233	6	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.4805	0.881	6	120.4805	0.776	6	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCCH)(CNN)	121.6350	0.000	1	121.6350	0.000	1	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	120.9570	0.000	1	120.9570	0.000	1	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.7780	0.000	1	120.1927	0.131	3	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.4000	0.068	2	120.1927	0.131	3	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.4290	0.000	1	121.4290	0.000	1	120.6235	0.601	12	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:As-3:	C[6a](C[6a]C[6a]2)2(NAsSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SiCCN)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(SiCCN)(AsClC)	120.7655	1.172	2	120.7655	1.373	2	120.5613	1.010	4	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:As-3:	C[6a](C[6a]C[6a]2)2(NAsSi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SiCCO)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(SiCCO)(AsClC)	120.3570	1.220	2	120.3570	1.490	2	120.5613	1.010	4	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:P-3:	C[6a](C[6a]C[6a]2)2(NSiP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SiC3)(PCl2)	C[6a](C[6a]C[6a]2)2(NSiP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(SiC3)(PCl2)	120.1390	0.177	2	120.1390	0.031	2	120.1390	0.031	2	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	119.3440	0.000	1	119.3440	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.8110	0.782	2	119.8110	0.612	2	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.6147	0.213	3	120.6147	0.045	3	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.0667	0.987	3	121.6412	1.106	5	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	122.4890	0.000	1	121.6412	1.106	5	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	122.5170	0.000	1	121.6412	1.106	5	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCS)	122.1085	0.103	2	122.1085	0.011	2	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	121.6217	0.363	6	121.6217	0.131	6	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.7837	0.351	21	121.7837	0.123	21	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	119.4680	0.452	4	119.4680	0.204	4	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CHO)	120.5110	0.000	1	120.5110	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CNO)	118.5200	0.000	1	118.5200	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	121.3353	1.328	12	121.3353	1.764	12	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHO)	119.0750	0.318	2	119.0750	0.101	2	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	118.9390	0.000	1	118.9390	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.7733	1.575	3	120.7733	2.480	3	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.7520	0.000	1	118.7520	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.0445	0.035	2	121.0445	0.001	2	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHO)	120.4550	0.000	1	120.4550	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	122.7040	0.000	1	122.7040	0.000	1	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CH3)(CNO)	123.6190	0.461	2	123.6190	0.213	2	121.1830	1.540	71	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NOO)	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	120.3810	0.000	1	120.3810	0.000	1	122.6067	3.850	3	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(CCO)	124.0860	0.000	1	123.7195	0.269	2	122.6067	3.850	3	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(CCO)	123.3530	0.000	1	123.7195	0.269	2	122.6067	3.850	3	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CCO)	118.6240	0.000	1	118.6240	0.000	1	120.9310	4.138	3	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	122.0845	0.541	2	122.0845	0.293	2	120.9310	4.138	3	121.0382	1.688	142	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.1190	0.058	2	119.1190	0.003	2	120.3732	3.559	5	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.0505	0.965	2	120.0505	0.932	2	120.3732	3.559	5	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.5270	0.000	1	123.5270	0.000	1	120.3732	3.559	5	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.2677	2.060	3	117.2677	4.245	3	117.2677	4.245	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[3x6]-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCS){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CH3)2	123.0055	0.776	2	123.0055	0.602	2	123.0055	0.602	2	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	118.9523	0.141	3	118.9523	0.020	3	118.9523	0.020	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(COO){3|C<3>}	N(C[6a]C[6a]2)(CCCH)2	117.1270	0.000	1	117.1270	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5])	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	119.1850	0.000	1	119.1850	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.7540	0.000	1	119.7540	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.5620	0.000	1	117.5620	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(CH3)	124.8325	0.606	2	124.8325	0.367	2	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	126.9425	0.595	2	127.0217	0.196	3	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	127.1800	0.000	1	127.0217	0.196	3	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	124.4110	0.000	1	124.4110	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CN[5]O){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	123.4205	0.062	2	123.4205	0.004	2	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)2	118.7980	0.000	1	118.7980	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	126.9920	0.000	1	126.9920	0.000	1	122.9571	13.928	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	118.3600	0.000	1	118.3600	0.000	1	120.1740	4.784	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)	119.5590	0.000	1	119.5590	0.000	1	120.1740	4.784	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	122.6030	0.000	1	122.6030	0.000	1	120.1740	4.784	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.0250	0.000	1	120.0250	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(SCOO)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(CC3)	118.7470	0.000	1	118.7470	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHO)	120.0750	0.000	1	120.0750	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.2480	0.000	1	119.1723	0.982	3	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.6345	0.827	2	119.1723	0.982	3	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.6087	0.224	3	120.6087	0.050	3	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.3510	0.000	1	119.3510	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.4350	0.000	1	121.4350	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(CH3)	121.4710	0.952	2	121.4710	0.906	2	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.3850	0.000	1	121.3850	0.000	1	120.2359	1.205	14	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	119.9695	0.292	2	119.9695	0.085	2	119.9695	0.085	2	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){2|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.4593	0.461	3	119.4593	0.212	3	119.4593	0.212	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCC){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2{2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CCCH)2	123.4400	0.000	1	123.4400	0.000	1	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	118.6350	0.000	1	118.6350	0.000	1	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.9020	0.000	1	119.9020	0.000	1	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.0180	0.817	4	120.0180	0.668	4	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.2520	0.000	1	118.9895	0.138	2	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	118.7270	0.000	1	118.9895	0.138	2	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)2(NCC){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CCCH)2	120.3930	0.000	1	120.3930	0.000	1	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)2(NCC){1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2{2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CCCH)2	119.0820	0.000	1	119.0820	0.000	1	119.9548	1.887	11	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCP){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	119.8275	0.148	4	119.8275	0.022	4	119.8275	0.022	4	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(NCS){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SCOO)(CH3)	118.5510	0.000	1	118.5510	0.000	1	119.2155	0.883	2	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	119.8800	0.000	1	119.8800	0.000	1	119.2155	0.883	2	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	125.9110	0.000	1	125.9110	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CH3)2	120.9290	0.000	1	121.9477	10.846	3	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<3>,1|F<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.4570	4.487	2	121.9477	10.846	3	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	117.0510	0.000	1	117.0510	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.0855	0.490	2	120.7545	0.523	11	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.6809	0.768	9	120.7545	0.523	11	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	117.7140	0.000	1	117.7140	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	119.6950	0.000	1	119.6950	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Ni)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Ni){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.7750	0.000	1	117.7750	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)2	117.5700	0.000	1	117.5700	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	125.7850	0.000	1	125.7850	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)	120.8130	0.000	1	120.8130	0.000	1	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	122.8060	0.000	1	124.1733	1.631	3	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	124.8570	0.676	2	124.1733	1.631	3	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	123.6740	0.000	1	124.0215	0.242	2	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	124.3690	0.000	1	124.0215	0.242	2	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]N)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)2	123.3995	0.718	2	123.3995	0.515	2	121.5110	6.572	29	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.0350	0.551	4	119.0350	0.304	4	119.6917	1.153	7	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	120.5673	0.996	3	120.5673	0.992	3	119.6917	1.153	7	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Ga-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GaNiNN)(CHHP)	116.6917	0.223	3	116.6917	0.050	3	116.6917	0.050	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(InNiNN)(CHHP)	118.7737	0.570	3	118.7737	0.324	3	118.7737	0.324	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.4317	0.185	3	119.4317	0.034	3	119.8004	0.734	10	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.4980	0.000	1	121.4980	0.000	1	119.8004	0.734	10	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCCH)	118.8250	0.000	1	118.8250	0.000	1	119.8004	0.734	10	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.1133	0.959	3	120.1133	0.920	3	119.8004	0.734	10	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	119.5230	0.100	2	119.5230	0.010	2	119.8004	0.734	10	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	118.9440	0.000	1	118.9440	0.000	1	120.8403	10.845	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SCOO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)2	124.6430	0.000	1	124.6430	0.000	1	120.8403	10.845	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	C[6a](C[6a]C[6a]N)2(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	118.9340	0.000	1	118.9340	0.000	1	120.8403	10.845	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.2330	0.000	1	119.2330	0.000	1	118.7453	0.403	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.0280	0.000	1	118.0280	0.000	1	118.7453	0.403	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Rh)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Rh){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9750	0.000	1	118.9750	0.000	1	118.7453	0.403	3	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N(C[6a]C[6a]2)(CH3)2	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]HH)	119.3810	0.000	2	119.3810	0.000	2	119.3810	0.000	2	120.5352	5.644	134	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:5:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:Nb-5:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NNbS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(NbN4)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NNbS){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(NbN4)	118.9465	2.074	2	118.9465	4.301	2	118.9465	4.301	2	118.9465	4.301	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	120.8745	0.544	2	120.8745	0.296	2	121.0850	0.281	3	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	121.5060	0.000	1	121.5060	0.000	1	121.0850	0.281	3	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	122.5010	0.000	1	122.5010	0.000	1	122.5010	0.000	1	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	120.1945	0.402	2	120.1945	0.162	2	120.1945	0.162	2	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	117.2295	0.125	2	117.2295	0.016	2	117.2295	0.016	2	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	120.5447	5.219	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	120.2430	0.354	2	120.2430	0.125	2	120.2430	0.125	2	120.2430	0.125	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	119.8473	0.795	4	119.8473	0.633	4	119.7923	0.614	6	120.3198	1.134	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	119.6825	1.066	2	119.6825	1.136	2	119.7923	0.614	6	120.3198	1.134	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6]-4:C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	121.7790	0.103	2	121.7790	0.011	2	121.3747	0.496	3	120.3198	1.134	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	C[6]-4:C[6a]-3:C-3:	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(NHH){1|N<3>,2|O<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	120.5660	0.000	1	120.5660	0.000	1	121.3747	0.496	3	120.3198	1.134	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[3x6]-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)(CCHH){2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	123.8800	0.000	1	123.8800	0.000	1	124.8100	1.730	2	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|N<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(CH3){1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	125.7400	0.000	1	125.7400	0.000	1	124.8100	1.730	2	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	118.4050	0.000	1	120.3823	3.367	3	120.3823	3.367	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.3710	0.932	2	120.3823	3.367	3	120.3823	3.367	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.0200	0.000	1	118.0200	0.000	1	118.0200	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(O)2	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(NHH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2N){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)2	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,3|C<4>}	N(C[6a]C[6a]2)(O)2	119.0695	0.791	2	119.0695	0.626	2	119.4357	0.715	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(CH3){1|C<3>,1|O<2>,2|C<4>}	N(C[6a]C[6a]2)(O)2	120.1680	0.000	1	120.1680	0.000	1	119.4357	0.715	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	115.3480	0.000	1	115.3480	0.000	1	119.3433	11.975	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.2890	0.000	1	121.2890	0.000	1	119.3433	11.975	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.3930	0.000	1	121.3930	0.000	1	119.3433	11.975	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(SO3){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	126.1930	0.000	1	126.1930	0.000	1	126.1930	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:As-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(AsO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.7200	0.000	1	122.7200	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	117.6520	0.000	2	117.6520	0.000	2	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.1300	0.000	1	120.1300	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.6690	0.625	2	120.2840	0.328	4	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.9000	0.000	1	120.2840	0.328	4	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8980	0.000	1	120.2840	0.328	4	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5390	0.000	1	121.5390	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1550	0.000	1	121.1550	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.5910	0.000	1	122.9923	0.223	3	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	122.8730	0.000	1	122.9923	0.223	3	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	123.5130	0.000	1	122.9923	0.223	3	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	119.7495	0.187	2	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8430	0.000	1	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.4830	0.720	2	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.6195	0.426	2	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8607	1.068	3	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.2453	0.845	3	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.6082	2.051	6	119.9218	1.592	19	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5834	0.947	10	120.5834	0.898	10	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNOV)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNOV){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.8964	0.688	5	122.8964	0.474	5	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.1600	0.000	1	123.1600	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8340	0.000	1	120.7845	0.005	2	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|N<4>,1|S<4>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7350	0.000	1	120.7845	0.005	2	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.0520	0.000	1	119.0520	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.9330	0.000	1	119.0622	0.157	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.0880	0.437	5	119.0622	0.157	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.4550	0.000	1	121.4550	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(H)2	119.2900	0.000	1	119.2900	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|B<3>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	119.6500	0.361	2	119.3145	0.409	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.1467	0.725	4	119.3145	0.409	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.8610	0.229	4	119.8610	0.052	4	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.0170	0.102	2	120.0170	0.010	2	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	120.1400	0.000	2	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	120.0422	0.788	4	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	119.9778	1.017	4	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.2536	1.333	5	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.0305	1.797	2	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.9094	0.598	24	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2375	0.508	13	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.3350	0.000	1	119.9443	0.568	55	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|C<2>}	N(C[6a]C[6a]2)(H)2	120.9860	0.444	2	120.9860	0.197	2	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.4735	1.151	8	120.4735	1.324	8	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.2590	0.000	2	119.4275	0.126	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.5118	0.426	4	119.4275	0.126	6	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.9470	0.000	1	121.9470	0.000	1	120.1767	1.456	143	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[3]HO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.0180	0.000	1	121.0180	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.1360	0.000	1	121.1360	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	116.4160	0.000	1	116.4160	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO){3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(O)2	118.5450	0.000	1	118.5450	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	120.6210	0.000	1	120.6210	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(O)2	118.1380	0.297	2	118.1380	0.088	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CBrHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CBrHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	122.2780	0.000	1	122.2780	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	118.4050	0.963	2	119.6567	0.809	13	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.1017	0.694	6	119.6567	0.809	13	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.7045	0.476	2	119.6567	0.809	13	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.5693	0.947	3	119.6567	0.809	13	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.5927	0.132	3	121.5927	0.017	3	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2860	0.000	1	120.2860	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9795	0.028	2	121.9795	0.001	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBr2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBr2H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.3575	0.532	2	121.3575	0.284	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.6415	0.185	2	121.6415	0.034	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4560	0.000	1	121.4560	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8640	0.000	1	121.8640	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1870	0.000	1	122.1870	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2980	0.000	1	121.2980	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6520	0.000	1	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7960	0.279	3	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.9898	0.463	4	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.1850	0.000	1	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8580	0.541	14	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2450	0.059	2	121.1874	0.421	25	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1635	1.899	2	121.1635	3.605	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9990	0.000	1	120.9914	0.873	11	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.8906	0.920	10	120.9914	0.873	11	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CC)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.5020	0.000	2	123.5020	0.000	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0105	0.423	4	121.0105	0.179	4	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4095	0.199	2	121.4095	0.039	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.6030	0.000	1	120.6030	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.6060	0.000	1	121.6060	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]2H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1260	0.000	1	121.1260	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5030	0.164	2	121.5030	0.027	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0230	0.000	1	121.0230	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4045	0.042	2	121.4045	0.002	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4285	0.970	6	121.5138	0.702	8	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7695	0.192	2	121.5138	0.702	8	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2770	0.000	1	121.2770	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	122.2186	1.046	8	122.1394	1.014	9	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	121.5060	0.000	1	122.1394	1.014	9	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFFH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1830	0.000	1	121.1830	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0220	0.000	1	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.7550	0.000	1	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.8090	0.000	1	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.4982	0.347	6	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3890	0.000	1	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.6385	0.296	2	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1990	0.000	1	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.9983	0.730	6	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6337	0.535	3	120.8332	0.757	22	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2010	0.772	16	121.2010	0.597	16	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.3995	0.456	2	121.0156	0.260	10	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	121.2750	0.380	2	121.0156	0.260	10	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.1850	0.000	1	121.0156	0.260	10	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7244	0.526	5	121.0156	0.260	10	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(O)2	121.6100	0.000	1	121.2815	0.601	6	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2158	0.848	5	121.2815	0.601	6	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.4450	0.000	1	121.7550	0.192	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0650	0.000	1	121.7550	0.192	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.7110	0.000	1	120.7110	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHOP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2422	0.143	4	122.2422	0.020	4	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.0755	0.125	2	121.0755	0.016	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.2432	0.392	4	120.2432	0.154	4	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.6390	0.000	1	121.6390	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1597	0.444	6	121.1597	0.197	6	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3340	0.000	1	120.3340	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(O)2	121.9500	0.000	1	121.9500	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CC3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5800	0.110	2	121.5800	0.012	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCCH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	125.1410	0.000	1	125.1410	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CCHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.6395	0.380	2	119.6395	0.144	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3282	0.806	4	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	120.6220	0.000	1	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	120.0805	0.500	2	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.3995	0.745	2	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	119.9525	1.038	6	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.0579	0.908	49	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3600	0.694	2	120.0631	0.768	66	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(O)2	117.9260	0.000	1	117.9260	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.7010	0.000	1	116.7010	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.7900	0.000	1	118.7900	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	118.2030	0.000	1	118.2030	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	117.3810	0.000	1	117.3810	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(O)2	120.1350	0.000	1	120.1350	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CClHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	116.7560	0.000	1	116.7560	0.000	1	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.0390	0.000	1	115.4200	5.150	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(O)2	116.6675	0.225	4	115.4200	5.150	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	112.1155	0.247	2	115.4200	5.150	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	118.2000	0.206	2	118.2000	0.043	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCoHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCoHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.5510	0.813	2	117.5510	0.661	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	117.6095	0.480	2	118.5577	1.080	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(O)2	119.2270	1.234	3	118.5577	1.080	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ru<6>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(O)2	118.5020	0.238	2	118.5577	1.080	7	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(O)2	117.3465	0.524	2	117.3465	0.275	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]N)2(CC3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	121.2405	0.152	2	121.2405	0.023	2	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	118.0515	0.688	2	117.6605	0.362	4	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)2(NOO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(O)2	117.2695	0.030	2	117.6605	0.362	4	120.4577	2.521	288	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	N(C[6a]C[6a]2)(O)2	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	121.5140	0.000	1	121.5140	0.000	1	122.1210	0.737	2	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	122.7280	0.000	1	122.7280	0.000	1	122.1210	0.737	2	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.1300	0.000	1	122.5120	0.292	2	122.0760	0.716	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(O)2	122.8940	0.000	1	122.5120	0.292	2	122.0760	0.716	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(O)2	121.2040	0.000	1	121.2040	0.000	1	122.0760	0.716	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	123.3157	0.073	3	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(O)2	122.2450	0.000	1	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|C<3>,2|F<1>,2|O<2>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.2810	0.000	1	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	121.2600	0.000	1	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){4|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.0330	0.000	1	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	122.2847	0.473	18	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.0680	0.000	1	122.1907	0.613	26	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){1|C<4>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.4910	0.000	1	120.4910	0.000	1	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.1810	0.000	1	121.1810	0.000	1	122.0940	0.702	28	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCoHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCoHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.9380	0.000	1	119.9380	0.000	1	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8670	0.000	1	119.8670	0.000	1	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9130	0.000	1	121.9676	0.192	8	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	122.2420	0.000	1	121.9676	0.192	8	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.9310	0.502	6	121.9676	0.192	8	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NNiHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NNiHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.9595	0.265	2	119.9595	0.070	2	121.2887	1.135	12	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1467	0.444	3	122.1467	0.197	3	122.0576	0.177	5	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.5670	0.000	1	121.5670	0.000	1	122.0576	0.177	5	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NPtHH)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NPtHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2810	0.000	1	122.2810	0.000	1	122.0576	0.177	5	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.2315	0.141	2	124.2315	0.020	2	123.2050	3.171	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Cu)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Cu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1520	0.000	1	121.1520	0.000	1	123.2050	3.171	3	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.3775	0.716	2	120.3775	0.513	2	120.3775	0.513	2	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	123.0220	0.000	1	123.0220	0.000	1	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	123.1990	0.000	1	123.1990	0.000	1	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.2640	0.000	1	123.2134	0.766	5	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9507	0.749	4	123.2134	0.766	5	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.7050	0.000	1	124.7050	0.000	1	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6]OO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.0020	0.000	1	124.0020	0.000	1	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.1940	0.000	1	122.2350	1.102	4	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.5820	0.964	3	122.2350	1.102	4	123.0719	1.068	13	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(SNOO){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.6050	0.000	1	121.6050	0.000	1	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.1620	0.000	1	122.1620	0.000	1	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0209	0.682	88	122.0209	0.465	88	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[3]OO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[3]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8139	0.645	15	121.8139	0.416	15	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.5857	0.804	7	122.5857	0.647	7	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5a]OO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5a]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.8039	0.292	7	121.8039	0.086	7	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6]OO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[6]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.2318	0.474	13	122.2318	0.225	13	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.7643	0.647	7	122.4729	0.521	12	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	122.0650	0.669	5	122.4729	0.521	12	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]N)2(SO3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	120.9244	0.599	28	120.9244	0.359	28	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCOO)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SCOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(O)2	119.7930	0.000	1	119.7930	0.000	1	121.8723	0.640	173	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N(C[6a]C[6a]2)(O)2	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]O)(C[6a]N[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a]H)(SO3){1|N<3>,2|O<1>}	N(C[6a]C[6a]2)(H)2	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	123.1568	0.795	5	123.1568	0.632	5	123.1568	0.632	5	120.9432	2.428	696	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	117.2445	0.204	4	117.2445	0.042	4	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.4030	0.539	2	120.4030	0.290	2	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC)(H)	117.5940	0.000	1	117.9827	0.115	3	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.1770	0.059	2	117.9827	0.115	3	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC[5])(H)	117.1410	0.000	1	117.1410	0.000	1	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.1405	4.978	6	119.1371	16.700	10	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC)(H)	119.1320	2.966	4	119.1371	16.700	10	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]C)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NN)(H)	119.0535	1.010	2	119.0535	1.021	2	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHN){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC)(H)	121.0280	0.000	1	121.0280	0.000	1	118.7556	8.078	23	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NN)(O)	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-2:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(O)	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.6310	0.846	2	119.6310	0.715	2	120.0590	0.491	4	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(NC[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(H)	120.4870	0.158	2	120.4870	0.025	2	120.0590	0.491	4	119.1100	6.767	30	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:P-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GeN)(PN)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeN)(PN)	119.7355	0.889	2	119.7355	0.790	2	119.7355	0.790	2	119.7355	0.790	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-2:C-3:	C[6a](C[6a]C[6a]C)2(NAsC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(AsCl)(CNN)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(AsCl)(CNN)	119.1040	2.563	2	119.1040	6.567	2	119.0598	2.200	4	119.4175	1.219	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-2:C-3:	C[6a](C[6a]C[6a]C)2(NAsC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(AsN[6])(CNN)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(AsN[6])(CNN)	119.0155	0.161	2	119.0155	0.026	2	119.0598	2.200	4	119.4175	1.219	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:B-3:	C[6a](C[6a]C[6a]C)2(NGeB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(GeBr)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeBr)(BNN)	119.7845	0.798	2	119.7845	0.637	2	119.7752	0.303	4	119.4175	1.219	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:B-3:	C[6a](C[6a]C[6a]C)2(NGeB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(GeCl)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeCl)(BNN)	119.7660	0.522	2	119.7660	0.272	2	119.7752	0.303	4	119.4175	1.219	8	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeC[5])(SiC3)	120.2940	0.390	2	120.2940	0.152	2	120.4770	0.875	10	120.3537	1.041	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GeC[5])(SiC3)	120.7755	2.010	2	120.7755	4.041	2	120.4770	0.875	10	120.3537	1.041	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-2:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(GeC[6])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GeC[6])(SiC3)	120.4385	0.828	6	120.4385	0.685	6	120.4770	0.875	10	120.3537	1.041	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-2:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	119.7370	1.631	2	119.7370	2.659	2	119.7370	2.659	2	120.3537	1.041	12	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3){2|C<4>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	118.9075	0.235	2	118.9075	0.055	2	118.9075	0.055	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)(CH3)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.1770	0.000	1	118.1770	0.000	1	118.7595	0.679	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CN[6]HH){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.3420	0.000	1	119.3420	0.000	1	118.7595	0.679	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(SC[6a]OO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(SC[6a]OO){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	118.0410	0.095	2	118.0410	0.009	2	118.0410	0.009	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	117.1145	0.107	2	117.1145	0.011	2	117.1145	0.011	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NB[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	119.4195	0.337	6	119.4195	0.113	6	119.5149	0.130	8	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NB[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(B[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	119.8010	0.354	2	119.8010	0.125	2	119.5149	0.130	8	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	118.3140	0.000	1	118.3140	0.000	1	118.9994	0.417	5	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	119.3200	0.990	2	119.3200	0.980	2	118.9994	0.417	5	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	119.0215	0.115	2	119.0215	0.013	2	118.9994	0.417	5	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	119.2520	0.096	2	119.2520	0.009	2	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	116.5605	0.476	2	116.5605	0.226	2	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	120.0730	0.536	3	119.4128	1.935	4	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	117.4320	0.000	1	119.4128	1.935	4	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	118.5673	1.226	4	118.5673	1.504	4	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	119.7010	0.307	2	119.7010	0.094	2	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	119.3530	0.979	2	119.3530	0.958	2	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	119.2998	0.293	6	119.2998	0.086	6	118.9751	1.298	22	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	118.3140	0.000	1	118.3140	0.000	1	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.8710	1.055	4	118.8710	1.112	4	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	118.8155	0.844	2	118.8155	0.712	2	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	118.4895	1.239	4	118.4895	1.535	4	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	119.1955	1.338	4	119.1955	1.791	4	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	118.6920	2.249	2	118.9190	1.250	6	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|O<2>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	119.0325	0.589	4	118.9190	1.250	6	118.8420	1.080	21	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(BC[6a]N)(H)	119.3090	0.591	2	119.3090	0.349	2	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BC[5]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[5]N)(H)	119.5537	0.247	4	119.5537	0.061	4	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]2)(H)	119.9940	1.727	2	119.7352	3.690	4	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Si<4>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(BC[6a]2)(H)	119.4765	2.797	2	119.7352	3.690	4	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	119.1465	1.541	2	119.1465	2.374	2	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]N)(H)	119.8020	0.533	2	119.8020	0.284	2	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BHN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BHN)(H)	119.6095	0.358	4	119.6095	0.128	4	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BNN)(H)	119.5311	0.319	10	119.5311	0.102	10	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(BN[6]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BN[6]Cl)(H)	119.8130	1.018	2	119.8130	1.037	2	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(BN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BN[6]O)(H)	120.0855	0.360	2	120.0855	0.130	2	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BBN)(H)	119.7255	1.100	8	119.7255	1.210	8	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BNN)(H)	119.8671	0.917	8	119.8671	0.841	8	119.6658	0.701	48	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(Cl)	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	121.5250	0.000	1	121.5250	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	120.6890	0.000	1	120.6890	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(COO)(H)	119.6740	0.000	1	119.6740	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	119.2910	0.000	1	119.2910	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2665	0.845	2	120.2665	0.714	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.7670	0.000	1	116.7670	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.3160	0.000	1	118.3160	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.3643	0.135	3	119.3643	0.018	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	117.9290	0.000	1	117.9290	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.2450	0.000	1	117.2450	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	117.1040	0.000	1	117.1040	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.8430	0.857	5	120.7940	0.694	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6715	1.090	2	120.7940	0.694	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.7930	0.722	4	119.7930	0.521	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8090	0.000	1	118.8090	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.4680	0.000	1	116.4680	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	121.0070	0.000	1	121.0070	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.3720	0.000	1	122.3720	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	121.0540	0.000	2	121.0540	0.000	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CNS)(H)	120.3489	0.505	8	120.3489	0.255	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.5783	0.126	3	120.5783	0.016	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.5460	0.000	1	119.9557	0.149	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1605	0.214	2	119.9557	0.149	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.9620	1.572	4	118.9620	2.472	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5,6]O)(H)	118.8520	0.000	1	118.8520	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.5000	0.000	1	117.5000	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.8547	0.567	4	117.8547	0.322	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6515	1.604	4	119.6515	2.572	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNP)(H)	121.4255	0.344	2	121.4255	0.119	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	117.8270	0.000	1	117.8270	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.7790	0.472	2	118.7790	0.223	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	125.1040	0.000	1	125.1040	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.1880	0.000	1	118.1880	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	121.4890	0.000	1	121.4890	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.6490	0.000	1	121.6490	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.1940	0.000	1	120.1198	1.827	5	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.3820	0.740	3	120.1198	1.827	5	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	122.2590	0.000	1	120.1198	1.827	5	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	121.2930	0.000	1	121.2930	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HS){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.6090	0.000	1	120.6090	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	120.6050	0.000	1	120.6050	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.9160	0.000	1	121.0807	0.204	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCO)(H)	120.9013	0.476	4	121.0807	0.204	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.5220	0.035	2	121.0807	0.204	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.5830	0.000	1	121.5830	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.0822	0.440	6	120.0822	0.193	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.2050	0.735	2	120.2050	0.541	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	119.3210	0.000	1	119.3210	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CCH)(H)	117.0090	0.000	1	117.0090	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.3520	0.000	1	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.7170	0.057	2	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.2940	0.000	1	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.2760	0.000	1	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.3400	1.209	5	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.1829	1.530	19	118.5011	2.085	29	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	118.2700	0.000	1	118.2700	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[4]O)(H)	116.6015	1.125	2	116.6015	1.266	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	117.3070	0.000	1	117.3070	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	121.1030	0.139	2	121.1030	0.019	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.8763	0.409	3	118.0190	0.193	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.4470	0.000	1	118.0190	0.193	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	119.9370	0.000	1	119.9370	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	117.6300	0.000	1	118.1430	0.526	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.6560	0.000	1	118.1430	0.526	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.7800	1.049	2	117.8418	0.285	5	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	117.8830	0.113	3	117.8418	0.285	5	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5420	0.669	2	118.9699	3.249	20	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1303	0.171	3	118.9699	3.249	20	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1124	1.880	14	118.9699	3.249	20	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	116.3500	0.000	1	118.9699	3.249	20	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHO)(H)	119.4820	0.000	1	119.4820	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.2405	0.631	2	119.1013	1.584	40	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.8120	0.000	1	119.1013	1.584	40	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.1286	1.284	37	119.1013	1.584	40	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.3006	1.005	5	118.5360	2.574	9	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.8303	2.304	4	118.5360	2.574	9	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.3730	0.000	1	118.8046	2.378	35	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	120.5770	0.682	3	118.8046	2.378	35	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.7544	1.376	29	118.8046	2.378	35	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	116.0895	0.479	2	118.8046	2.378	35	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5a]N)(H)	118.1165	0.639	2	118.1165	0.408	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	117.7540	0.000	2	117.7540	0.000	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]S)(H)	121.0760	0.000	1	121.0760	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.7960	0.653	2	118.6183	0.308	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.2630	0.000	1	118.6183	0.308	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COS)(H)	118.0800	0.000	1	118.0800	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.5675	0.556	2	117.5675	0.310	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	116.7730	0.000	1	116.7730	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.9295	1.242	2	118.9295	1.544	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	117.5100	0.000	1	117.5100	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4866	1.964	7	117.4866	3.858	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	124.1760	1.792	3	124.1760	3.210	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1495	0.260	2	119.1495	0.067	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.2790	0.000	1	120.9560	0.115	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.9850	0.000	1	120.9560	0.115	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.6040	0.000	1	120.9560	0.115	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.2150	0.314	2	120.2150	0.099	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.4890	0.000	1	119.4820	1.972	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	120.4750	0.000	1	119.4820	1.972	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	118.2900	0.000	1	118.2900	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6,6]O)(H)	121.3280	0.000	1	121.3280	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	118.5515	0.296	2	118.5515	0.088	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.4440	0.000	1	119.0556	0.133	11	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.0168	0.360	10	119.0556	0.133	11	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.1585	0.018	2	120.1585	0.000	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.4700	0.393	2	117.4700	0.155	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	118.7988	0.683	52	118.7988	0.466	52	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCH)(H)	117.7821	1.906	8	117.7821	3.632	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	118.6659	0.920	18	118.6659	0.847	18	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.5254	0.883	18	118.5689	0.773	19	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CCO)(H)	119.3520	0.000	1	118.5689	0.773	19	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(H)	118.8015	0.341	4	118.8015	0.116	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	118.9592	0.919	6	118.9592	0.845	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]C)(H)	119.1360	2.085	2	119.1360	4.345	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	118.2180	1.098	8	118.2180	1.205	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]N)(H)	119.0800	2.176	4	119.0800	4.733	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.0890	0.959	7	118.0890	0.919	7	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)(H)	118.6315	0.970	8	118.6315	0.941	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(H)	118.3243	0.572	4	118.3243	0.327	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.6055	0.595	2	118.6055	0.354	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	118.1752	0.918	10	118.1752	0.842	10	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	118.9041	1.264	14	118.9041	1.599	14	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4952	0.244	4	118.4952	0.059	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]P)(H)	119.1196	1.604	10	119.1196	2.572	10	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	118.5475	0.908	4	118.5475	0.824	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	118.5254	0.951	12	118.5254	0.905	12	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	118.7510	0.750	6	118.7510	0.563	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHS)(H)	118.6950	1.068	2	118.6950	1.140	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.0218	1.686	10	119.0218	2.842	10	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)(H)	119.2250	0.750	4	119.2250	0.563	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	119.3706	0.983	8	119.3706	0.967	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	118.8637	0.859	4	118.8637	0.737	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	118.6385	0.647	2	118.6385	0.419	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]S)(H)	118.7330	0.096	2	118.7330	0.009	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.7540	1.249	2	118.8013	0.786	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNN)(H)	118.8960	0.000	1	118.8013	0.786	3	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.8535	0.122	2	118.8535	0.015	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)(H)	119.7310	0.000	1	119.7310	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCN)(H)	119.4055	1.333	2	119.4055	1.777	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[3x6]N)(H)	119.4180	0.653	2	119.4180	0.427	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[3x6]O)(H)	119.0190	0.011	2	119.0190	0.000	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]S)(H)	118.9673	0.426	4	118.9673	0.181	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]S)(H)	119.2585	1.207	4	119.2585	1.458	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	119.1555	1.300	2	119.1555	1.691	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CCC)(H)	118.9203	0.902	4	119.2696	0.588	25	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCC)(H)	119.1873	0.950	12	119.2696	0.588	25	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCC)(H)	119.5346	0.260	9	119.2696	0.588	25	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCH)(H)	118.9575	2.546	10	118.9575	6.483	10	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	118.7083	1.355	12	118.7673	1.266	18	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCN)(H)	118.8855	0.493	6	118.7673	1.266	18	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	119.4322	0.398	4	118.9372	0.797	86	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8933	0.890	70	118.9372	0.797	86	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	119.0282	1.021	12	118.9372	0.797	86	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCS)(H)	118.5935	0.443	2	118.5935	0.197	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5,6]N)(H)	118.6340	0.928	2	118.6340	0.861	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]C)(H)	118.7265	1.551	2	118.7265	2.405	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	119.0940	1.854	2	119.0940	3.437	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.7195	2.508	2	118.7195	6.291	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.2840	0.000	1	120.2840	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.5777	0.891	6	118.5777	0.795	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.6388	2.140	4	118.6388	4.578	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	118.2800	0.000	1	118.2800	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(H)	118.6700	0.905	2	118.6700	0.819	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.9007	1.074	38	119.0670	1.551	72	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1706	1.731	10	119.0670	1.551	72	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.2182	1.201	4	119.0670	1.551	72	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.3008	1.335	20	119.0670	1.551	72	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Pd)(H)	118.4690	1.770	6	118.4690	3.134	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(H)	119.8623	0.472	4	119.1823	1.135	18	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CHN)(H)	118.9880	1.118	14	119.1823	1.135	18	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHO)(H)	119.0940	1.219	2	119.2565	1.196	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CHO)(H)	119.4190	1.413	2	119.2565	1.196	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHS)(H)	118.5775	1.368	2	118.5775	1.872	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CMoC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CMoC)(H)	118.5935	1.378	2	118.5935	1.899	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	118.9660	0.823	26	118.9995	0.658	30	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNN)(H)	119.2173	0.806	4	118.9995	0.658	30	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	119.1388	1.347	4	119.2989	1.922	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNO)(H)	119.4590	1.613	4	119.2989	1.922	8	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	118.6637	0.771	32	118.7062	0.518	40	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CNS)(H)	118.8761	0.456	8	118.7062	0.518	40	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]N)(H)	119.3975	2.815	2	119.3975	7.924	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]Pd)(H)	116.3275	3.019	2	118.0252	7.041	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]Pd)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[5]Pd)(H)	119.7230	0.693	2	118.0252	7.041	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(H)	119.1180	2.234	2	119.1180	4.993	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNiC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNiC)(H)	118.2790	0.479	2	118.2790	0.230	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdC)(H)	119.0325	0.650	2	119.0325	0.422	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	118.5272	1.178	13	118.5272	1.388	13	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRuN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRuN)(H)	118.3270	1.853	4	118.3270	3.435	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CTaC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CTaC)(H)	118.2000	0.123	2	118.2000	0.015	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CWW)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CWW)(H)	119.4445	0.555	2	119.4445	0.308	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	118.7530	0.673	4	118.7530	0.452	4	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]H)(H)	116.8730	0.000	1	116.8730	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	120.4710	0.000	1	120.4710	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	120.1480	0.000	1	120.1480	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.1110	0.000	1	117.1110	0.000	1	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	117.0843	1.759	6	117.0843	3.096	6	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	116.0745	2.248	2	116.0745	5.053	2	118.9359	1.735	949	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:In-1:	C[6a](C[6a]C[6a]C)2(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNP)(In)	C[6a](C[6a]C[6a]C)2(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNP)(In)	119.8540	0.970	2	119.8540	0.941	2	119.8540	0.941	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(O)	119.1440	0.000	1	119.1440	0.000	1	118.3130	0.518	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-1:	C[6a](C[6a]C[6a]C)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(O)	117.8975	0.008	2	117.8975	0.000	2	118.3130	0.518	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	C[6a](C[6a]C[6a]C)2(NC[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	118.9510	1.199	2	118.9510	1.438	2	118.9510	1.438	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	118.8290	0.000	1	118.8290	0.000	1	119.0206	1.128	9	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	119.0882	1.253	6	119.0882	1.570	6	119.0206	1.128	9	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	118.9135	1.042	2	118.9135	1.085	2	119.0206	1.128	9	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.1740	0.000	1	121.1740	0.000	1	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.7800	0.000	1	119.7800	0.000	1	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.6870	0.000	1	119.6870	0.000	1	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.0980	0.000	1	121.0980	0.000	1	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.9780	0.686	8	118.9780	0.470	8	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.0537	0.893	6	119.0537	0.797	6	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Ir<8>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	116.0414	0.985	5	116.0414	0.970	5	118.6127	2.804	23	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]C)2(NC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)2(NC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.1085	0.486	8	118.1085	0.237	8	118.1085	0.237	8	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.3660	0.000	1	119.3660	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.7705	1.105	35	119.7705	1.221	35	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.1743	2.175	3	119.1743	4.731	3	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.9085	1.448	21	118.9085	2.096	21	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.3710	0.248	8	116.3710	0.061	8	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.8180	0.000	1	121.8180	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.3440	0.000	1	119.3440	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.0532	0.317	5	120.0532	0.101	5	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	125.1550	0.000	1	118.7066	2.364	22	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.3995	0.551	21	118.7066	2.364	22	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.0160	0.000	1	119.0160	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.4430	0.000	1	118.4430	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	117.7468	1.191	4	117.7468	1.419	4	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.6900	0.000	1	118.7378	1.958	9	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	119.3035	1.835	2	118.7378	1.958	9	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	120.4510	0.000	1	118.7378	1.958	9	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	117.9784	1.111	5	118.7378	1.958	9	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.2820	2.021	4	119.2820	4.083	4	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.5220	0.227	3	119.5220	0.052	3	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CMnOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CMnOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.3500	0.369	3	121.3500	0.136	3	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.3855	0.698	2	120.3855	0.487	2	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	117.7710	0.000	1	117.7710	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)2(H)	119.2950	0.534	10	119.2950	0.285	10	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.5325	3.178	2	119.5325	10.103	2	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.3190	0.388	24	119.3477	0.347	26	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(H)	119.6925	2.225	2	119.3477	0.347	26	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.1350	0.199	4	119.1350	0.040	4	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	118.8850	0.509	2	118.8850	0.259	2	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	126.0810	0.000	1	126.0810	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(H)	119.8410	3.424	2	119.8410	11.722	2	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.0266	1.221	10	119.0266	1.490	10	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	119.5900	0.000	1	119.5900	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.1779	0.914	36	119.3260	1.289	64	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<1>}	N(C[6a]C[6a]2)2(H)	119.3688	1.339	4	119.3260	1.289	64	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)2(H)	118.9785	0.755	4	119.3260	1.289	64	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(H)	119.6536	1.477	20	119.3260	1.289	64	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.9073	0.806	19	119.2036	0.580	37	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.5164	0.581	18	119.2036	0.580	37	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	119.5760	0.000	1	119.5760	0.000	1	119.2183	1.758	285	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(NC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(O)	118.2620	0.498	2	118.2620	0.248	2	118.2620	0.248	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge[6]-3:H-1:	C[6a](C[6a]C[6a]C)2(NGe[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(Ge[6]N[6]2)(H)	C[6a](C[6a]C[6a]C)2(NGe[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(Ge[6]N[6]2)(H)	120.0130	0.812	2	120.0130	0.659	2	120.0130	0.659	2	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:In-3:H-1:	C[6a](C[6a]C[6a]C)2(NInH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(InNN)(H)	C[6a](C[6a]C[6a]C)2(NInH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(InNN)(H)	120.1302	1.910	6	120.1302	3.648	6	120.4093	3.004	12	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:In-3:H-1:	C[6a](C[6a]C[6a]C)2(NInH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(InNN)(H)	C[6a](C[6a]C[6a]C)2(NInH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(InNN)(H)	120.6885	1.666	6	120.6885	2.774	6	120.4093	3.004	12	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	118.1680	1.466	3	118.1680	2.148	3	118.0168	1.262	5	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:O-1:	C[6a](C[6a]C[6a]C)2(NNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(NNO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(NC[6a]O)(O)	117.7900	0.762	2	117.7900	0.581	2	118.0168	1.262	5	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	119.9310	0.359	2	119.9310	0.129	2	120.1027	0.083	6	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(PNN)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PNN)(H)	120.1885	0.256	4	120.1885	0.066	4	120.1027	0.083	6	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2H){4|C<3>,5|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.4705	1.016	2	119.4705	1.032	2	119.0040	0.567	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	118.8875	0.872	2	118.8875	0.760	2	119.0040	0.567	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	118.1460	0.000	1	118.1460	0.000	1	119.0040	0.567	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	119.0830	0.631	2	119.0830	0.398	2	119.0040	0.567	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	120.1710	0.000	1	120.1710	0.000	1	120.0733	4.031	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCN)(H)	117.9630	0.525	2	117.9630	0.275	2	120.0733	4.031	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Pd)	N(C[6a]C[6a]2)(CPdN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Pd){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CPdN)(H)	122.2720	0.660	2	122.2720	0.436	2	120.0733	4.031	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Re)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Re){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	121.4940	0.000	1	121.4940	0.000	1	120.0733	4.031	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PO3)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]O)(H)	118.3780	0.000	1	118.3780	0.000	1	120.0733	4.031	7	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.8130	0.000	1	118.8130	0.000	1	119.5727	1.282	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.9525	1.303	2	119.9525	1.698	2	119.5727	1.282	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	119.2010	0.000	1	119.2010	0.000	1	119.6280	0.325	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	119.4080	0.000	1	119.4080	0.000	1	119.6280	0.325	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	120.2750	0.000	1	120.2750	0.000	1	119.6280	0.325	3	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]H)(H)	120.8080	0.000	1	120.8080	0.000	1	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.6110	0.000	1	120.5999	0.935	20	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	120.5467	0.963	19	120.5999	0.935	20	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	120.3459	0.854	9	120.3459	0.729	9	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(H)	120.6000	0.000	1	120.6000	0.000	1	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	121.4227	0.945	3	121.4227	0.894	3	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN[5]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]O)(H)	121.2890	0.000	1	121.2890	0.000	1	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	117.4885	2.235	2	117.4885	4.996	2	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(H)	118.9070	0.000	1	118.9070	0.000	1	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(H)	119.4700	0.667	3	119.4700	0.445	3	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOOS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SOOS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.6970	0.150	2	118.6970	0.022	2	120.2736	1.503	43	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	127.1000	0.000	1	127.1000	0.000	1	123.5217	6.752	4	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	122.3290	1.262	3	122.3290	1.593	3	123.5217	6.752	4	119.0806	1.841	1493	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(NC)	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(OH)	119.9380	0.000	1	119.9380	0.000	1	119.6005	1.291	4	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(OH)	120.9320	0.000	1	120.9320	0.000	1	119.6005	1.291	4	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHN)(OH)	118.7660	0.771	2	118.7660	0.594	2	119.6005	1.291	4	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:S-2:	C[6a](C[6a]C[6a]C)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHN)(SCu)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CHN)(SCu)	118.5020	0.598	2	118.5020	0.358	2	118.5020	0.358	2	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NC[6a]Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)2(GeMo)	C[6a](C[6a]C[6a]C)2(NC[6a]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(GeMo)	119.7740	1.185	2	119.7740	1.404	2	119.7740	1.404	2	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	119.2060	0.010	2	119.2060	0.000	2	119.4432	0.770	12	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	119.4507	1.048	8	119.4507	1.098	8	119.4432	0.770	12	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	119.6505	0.767	2	119.6505	0.589	2	119.4432	0.770	12	119.3759	0.839	21	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B[6,6]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NB[6,6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NB[6,6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	118.8960	1.120	2	118.8960	1.255	2	118.8960	1.255	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	118.6495	0.370	4	118.6495	0.137	4	118.6060	0.639	6	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	118.5190	1.662	2	118.5190	2.761	2	118.6060	0.639	6	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	C[6a](C[6a]C[6a]C)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	118.6210	0.970	2	118.6210	0.941	2	118.6210	0.941	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-3:C-3:	C[6a](C[6a]C[6a]C)2(NAsC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(AsAsN)(CCH)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(AsAsN)(CCH)	119.0337	0.244	4	119.0337	0.059	4	119.0337	0.059	4	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BCH)(CCO)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BCH)(CCO)	119.0395	0.310	4	119.0395	0.096	4	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BC[6]C)(CCO)	119.0395	0.887	2	119.0395	0.788	2	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	119.7150	1.020	2	119.7150	1.040	2	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	120.1445	0.777	2	120.1445	0.604	2	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BClFe)(CCC)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(BClFe)(CCC)	119.6935	0.693	4	119.6935	0.481	4	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BClN)(CCC)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BClN)(CCC)	119.8530	0.666	2	119.8530	0.444	2	119.5272	0.479	16	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[5]-3:C-3:	C[6a](C[6a]C[6a]C)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	118.9645	0.214	2	118.9645	0.046	2	119.5768	0.965	14	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[5]-3:C-3:	C[6a](C[6a]C[6a]C)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	119.0790	0.611	2	119.0790	0.373	2	119.5768	0.965	14	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[5]-3:C-3:	C[6a](C[6a]C[6a]C)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	119.9592	1.153	8	119.9592	1.329	8	119.5768	0.965	14	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[5]-3:C-3:	C[6a](C[6a]C[6a]C)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	119.1570	0.229	2	119.1570	0.052	2	119.5768	0.965	14	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	123.3410	0.048	3	123.3410	0.002	3	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)2	124.6250	0.000	1	124.6250	0.000	1	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(COO)	117.9710	0.000	1	117.9710	0.000	1	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCH)(COO)	120.4080	0.000	1	120.4080	0.000	1	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)2	119.3690	0.000	1	119.3690	0.000	1	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)(CHN)	118.1399	0.582	12	118.1399	0.339	12	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCN)2	117.4250	2.209	2	117.4250	4.880	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]N)(CFeO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(CFeO)	118.7550	0.334	2	118.7550	0.111	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	118.7005	0.573	2	118.7005	0.329	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)(CNO)	118.8390	0.914	2	118.8390	0.835	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCO)(CNS)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCO)(CNS)	118.6470	1.624	2	118.6470	2.636	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	118.7070	2.838	2	118.7070	8.056	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	118.9952	0.167	4	118.9952	0.028	4	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<7>}	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	118.6310	0.000	1	118.6310	0.000	1	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	118.4550	2.373	2	118.4550	5.631	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFeC)(CFeN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CFeC)(CFeN)	118.7650	1.201	2	118.7650	1.442	2	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CPdN)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CPdN)2	118.3402	1.554	4	118.3402	2.414	4	118.9690	3.337	44	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(COO)(NCH)	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	123.0148	0.256	4	123.0148	0.065	4	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.5523	1.378	3	119.5692	4.028	10	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	119.0762	2.095	6	119.5692	4.028	10	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	122.5780	0.000	1	119.5692	4.028	10	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CClO)	119.0195	3.351	2	119.0195	11.229	2	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	119.1319	2.026	26	119.1319	4.105	26	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(COS)	119.1120	2.855	2	119.1120	8.153	2	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CHN)	119.0600	0.731	2	119.0600	0.535	2	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)2(CC[5a]O)	118.8490	1.928	2	118.8490	3.716	2	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	118.7777	0.804	4	118.7777	0.646	4	119.4687	4.346	52	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.3456	2.030	8	120.3456	4.120	8	120.1977	3.355	10	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	119.6060	0.692	2	119.6060	0.478	2	120.1977	3.355	10	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:B-3:	C[6a](C[6a]C[6a]C)2(NBP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	C[6a](C[6a]C[6a]C)2(NBP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	119.5350	3.418	2	119.5350	11.684	2	119.5350	11.684	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:C-3:	C[6a](C[6a]C[6a]C)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(COO)	118.9745	0.373	2	118.9745	0.139	2	118.9745	0.139	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]C)2(NPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H)	N(C[6a]C[6a]2)(PCl2)2	C[6a](C[6a]C[6a]C)2(NPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PCl2)2	118.7758	0.189	4	118.7758	0.036	4	118.7758	0.036	4	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si[4]-3:P-3:	C[6a](C[6a]C[6a]C)2(NSi[4]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	120.2425	1.324	2	120.2425	1.754	2	120.2425	1.754	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2C){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(COO)2	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(COO)2	120.2370	0.165	2	120.2370	0.027	2	120.2370	0.027	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Ni)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Ni){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCO)	121.0255	0.934	2	121.0255	0.873	2	121.0255	0.873	2	119.3856	2.931	166	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	119.6335	0.984	2	119.6335	0.967	2	119.6335	0.967	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(NB[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(NB[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(B[5a]O[5a]2)(C[6a]C[6a]2)(CCHH)	119.1670	1.454	4	119.1670	2.113	4	119.1670	2.113	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]C)2(NC[5,6]Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(GeCl2Rh)	C[6a](C[6a]C[6a]C)2(NC[5,6]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(GeCl2Rh)	119.5330	1.594	2	119.5330	2.540	2	119.5330	2.540	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NC[5,6]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(SiC[6a]CN)	C[6a](C[6a]C[6a]C)2(NC[5,6]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(SiC[6a]CN)	119.5455	1.040	4	119.5455	1.082	4	119.5455	1.082	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NC[5]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]N[5]P[5])(C[6a]C[6a]2)(SiSi3)	C[6a](C[6a]C[6a]C)2(NC[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]N[5]P[5])(C[6a]C[6a]2)(SiSi3)	118.9605	1.034	2	118.9605	1.070	2	118.9605	1.070	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:In-4:	C[6a](C[6a]C[6a]C)2(NC[5a]In)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(InCl3)	C[6a](C[6a]C[6a]C)2(NC[5a]In){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(InCl3)	118.0825	3.017	2	118.0825	9.104	2	118.0825	9.104	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[5]-3:C-4:	C[6a](C[6a]C[6a]C)2(NB[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHHO)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(B[5]O[5]2)(CHHO)	119.8795	0.162	4	119.8795	0.026	4	119.8795	0.026	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.5700	0.542	2	119.5700	0.293	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.0200	0.000	1	120.0200	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	122.7980	0.000	1	122.4497	0.185	3	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	122.2755	0.433	2	122.4497	0.185	3	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	123.2710	0.253	2	123.2710	0.064	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.0050	0.000	1	119.0050	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.1698	1.197	6	120.1698	1.433	6	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.6300	0.000	1	118.6300	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.6220	0.000	1	119.6220	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.2120	0.000	1	121.2120	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	121.0905	3.298	4	121.0905	10.878	4	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.1270	0.000	1	121.1270	0.000	1	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]Ni)(CCHH)	118.6680	0.946	2	118.6680	0.895	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CIrN)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CIrN)(CH3)	118.7670	0.123	2	118.7670	0.015	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CRhN)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRhN)(CH3)	118.7682	0.918	4	118.7682	0.842	4	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	118.8385	0.557	6	118.8385	0.310	6	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFe2)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CFe2)(CH3)	119.6635	0.740	2	119.6635	0.548	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CFeC)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CFeC)(CH3)	118.6638	0.789	8	118.6638	0.622	8	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CIrN)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CIrN)(CH3)	118.9536	0.875	8	118.9536	0.766	8	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	119.3345	0.416	2	119.3345	0.173	2	119.6480	2.576	57	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	119.2945	0.134	2	119.2945	0.018	2	119.2085	0.095	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	119.1225	0.489	2	119.1225	0.239	2	119.2085	0.095	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NC[6]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6a](C[6a]C[6a]C)2(NC[6]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	118.5500	0.092	2	118.5500	0.008	2	118.5500	0.008	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.5784	0.694	5	120.6501	0.336	7	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.8295	0.025	2	120.6501	0.336	7	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	119.6444	1.947	5	119.8843	3.378	6	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	121.0840	0.000	1	119.8843	3.378	6	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.6680	0.000	1	120.6680	0.000	1	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.5027	0.414	6	120.5027	0.171	6	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(CSiHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(CSiHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8470	0.650	4	119.8470	0.422	4	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	120.0630	0.000	1	120.0630	0.000	1	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CC[6]HH)	120.3280	0.000	1	120.3280	0.000	1	120.2815	0.967	26	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SC[6a]OO)	121.3960	0.000	1	121.3960	0.000	1	119.7637	2.833	3	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(SC[6a]OO)	118.0340	0.000	1	118.0340	0.000	1	119.7637	2.833	3	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	119.8610	0.000	1	119.8610	0.000	1	119.7637	2.833	3	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GeClNi)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeClNi)(SiC3)	119.9020	0.619	2	119.9020	0.384	2	120.3812	0.582	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GeNiO)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeNiO)(SiC3)	120.3390	0.994	2	120.3390	0.988	2	120.3812	0.582	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(GeGeH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GeGeH)(SiC3)	120.9025	0.728	2	120.9025	0.529	2	120.3812	0.582	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-4:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	119.6325	0.248	2	119.6325	0.062	2	119.6325	0.062	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	119.5300	0.368	2	119.5300	0.135	2	119.8590	0.202	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	120.1880	0.195	2	120.1880	0.038	2	119.8590	0.202	4	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	120.3240	0.646	2	120.3240	0.418	2	120.2630	0.227	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	120.4105	0.565	2	120.4105	0.319	2	120.2630	0.227	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiNiN)(SiC3)	120.0545	0.508	2	120.0545	0.258	2	120.2630	0.227	6	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGe[4]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	119.7425	0.834	2	119.7425	0.695	2	119.7425	0.695	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PIrCC)	N(C[6a]C[6a]2)2(CIrHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PIrCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CIrHO)	123.0105	1.627	2	123.0105	2.647	2	123.0105	2.647	2	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RuC)	N(C[6a]C[6a]2)(CRuH)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuH)(CH3)	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	119.8618	1.966	137	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	B[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3)	N(C[6a]B[6a]C[6a])(CCHH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3){3|C<3>}	N(C[6a]B[6a]C[6a])(CCHH)(H)	116.5270	0.000	1	116.5270	0.000	1	116.3395	0.070	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	B[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3)	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]B[6a]N)(C[6a]N[6a]C)(CH3){3|C<3>}	N(C[6a]B[6a]C[6a])(CC[6a]HH)(H)	116.1520	0.000	1	116.1520	0.000	1	116.3395	0.070	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.6840	0.618	41	119.6512	0.369	45	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.3155	0.386	4	119.6512	0.369	45	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.6350	0.000	1	119.6350	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.1475	0.172	2	119.1475	0.030	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.5170	0.000	1	121.5170	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.4540	0.000	1	122.4540	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.8880	0.000	1	119.9112	0.522	6	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.1053	1.051	3	119.9112	0.522	6	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.6315	0.364	2	119.9112	0.522	6	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.6620	0.000	1	121.6620	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO)	N(C[6a]C[6a]2)(CC[6]CC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]HO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]CC)(H)	117.9030	0.000	1	117.9030	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	125.1620	0.000	1	125.1620	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.8160	0.000	1	119.7595	0.006	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.7030	0.000	1	119.7595	0.006	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.7670	0.687	2	120.7670	0.472	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.8920	0.000	1	119.1463	0.127	3	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.5530	0.000	1	119.1463	0.127	3	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.9940	0.000	1	119.1463	0.127	3	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6]HH)(H)	119.3130	0.000	1	119.3130	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	118.1170	0.000	1	118.1170	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	117.3240	0.000	1	117.7235	0.319	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRhNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRhNN)(H)	118.1230	0.000	1	117.7235	0.319	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CRuNN)(H)	118.8170	0.000	1	118.3850	0.373	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CRuNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuNN)(H)	117.9530	0.000	1	118.3850	0.373	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.8270	0.519	2	118.8270	0.269	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.4290	1.293	6	119.4290	1.672	6	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.5125	0.381	4	120.5125	0.145	4	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	N(C[6a]C[6a]2)(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]HH)(H)	122.6670	0.000	1	122.6670	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.5420	0.000	1	122.5420	0.000	1	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.8490	2.321	2	119.8490	5.386	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.7560	1.812	4	119.7560	3.284	4	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	119.7180	3.058	2	119.7180	9.348	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.8225	1.696	4	119.8225	2.878	4	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.7958	2.359	6	119.7958	5.563	6	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.7155	2.461	2	119.7155	6.059	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CDyCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CDyCO)(H)	118.7242	0.683	8	118.7242	0.467	8	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CTiNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CTiNN)(H)	119.7045	2.316	2	119.7045	5.363	2	119.6973	1.741	116	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(O)	121.1760	0.298	2	121.1760	0.089	2	121.1760	0.089	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(GeC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(GeC[6a]3)(H)	119.5040	0.366	2	119.5040	0.134	2	119.5040	0.134	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	119.6363	1.086	4	119.6363	1.178	4	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNOO)(H)	119.5278	0.772	6	119.5278	0.596	6	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	118.2155	0.455	2	118.2155	0.207	2	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PCHW)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PCHW)(H)	119.0375	0.223	2	119.0375	0.050	2	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	118.6535	1.231	4	118.6535	1.515	4	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	119.1430	1.062	4	119.1430	1.128	4	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	119.0970	0.486	2	119.0970	0.237	2	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	119.3820	0.247	2	119.3820	0.061	2	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]3)(H)	118.9185	1.121	2	118.9185	1.256	2	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	119.0045	1.174	8	119.0045	1.379	8	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(POOS)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(POOS)(H)	119.6213	0.356	4	119.6213	0.127	4	119.1680	0.823	40	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1880	0.519	2	120.1880	0.269	2	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.9670	0.000	1	120.9670	0.000	1	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6837	1.244	3	119.6837	1.547	3	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.7820	0.000	1	120.7820	0.000	1	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6012	0.238	5	120.1061	1.736	10	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.2470	0.354	2	120.1061	1.736	10	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9970	1.592	2	120.1061	1.736	10	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.5670	0.000	1	120.1061	1.736	10	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6820	0.000	1	119.6820	0.000	1	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SCOO)(H)	119.4800	2.343	2	119.4800	5.491	2	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9165	1.008	6	118.9165	1.017	6	119.7838	1.522	26	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ga-1:	C[6a](C[6a]C[6a]C)2(NGaSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(Ga)	120.6605	0.582	2	120.6605	0.339	2	120.5198	0.186	4	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ga-1:	C[6a](C[6a]C[6a]C)2(NGaSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC[6a]3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC[6a]3)(Ga)	120.3790	0.376	2	120.3790	0.142	2	120.5198	0.186	4	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-1:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(Ge)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(Ge)	120.1845	0.267	2	120.1845	0.071	2	120.1845	0.071	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC[6a]3)(H)	119.6540	0.462	2	119.6540	0.214	2	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	120.3040	0.518	2	120.3040	0.268	2	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiCCN)(H)	120.1095	1.738	4	120.1095	3.022	4	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	119.8075	1.173	2	119.8075	1.376	2	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiCCO)(H)	120.5410	1.103	2	120.5410	1.217	2	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC[6a]3)(H)	120.2665	0.522	4	120.2665	0.272	4	120.1323	0.939	16	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:In-1:	C[6a](C[6a]C[6a]C)2(NInSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(In)	C[6a](C[6a]C[6a]C)2(NInSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(In)	121.0145	0.779	2	121.0145	0.606	2	121.0145	0.606	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.9373	0.151	4	120.9373	0.023	4	120.9656	0.116	12	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.1580	0.259	4	121.1580	0.067	4	120.9656	0.116	12	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.8015	0.497	4	120.8015	0.247	4	120.9656	0.116	12	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]NO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.6690	0.000	1	120.6690	0.000	1	120.6690	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(P[5]N[5]2O){2|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	123.9430	0.000	1	123.9430	0.000	1	123.9430	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	120.0520	0.000	1	120.0520	0.000	1	120.9370	1.566	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.8220	0.000	1	121.8220	0.000	1	120.9370	1.566	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	122.2345	0.245	2	122.2345	0.060	2	122.2345	0.060	2	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(PC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]CC)(H)	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	119.7950	1.717	235	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)(CN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CN)	118.9688	0.282	4	118.9688	0.080	4	119.2345	0.177	12	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CN)	119.4505	0.389	4	119.4505	0.151	4	119.2345	0.177	12	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-2:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)(CN)	119.2843	0.508	4	119.2843	0.258	4	119.2345	0.177	12	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(NO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CCHH)(NO)	120.8880	0.000	1	120.8880	0.000	1	120.8370	0.005	2	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NO)	120.7860	0.000	1	120.7860	0.000	1	120.8370	0.005	2	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(OH)	118.7650	0.000	1	117.9775	0.504	6	117.9775	0.504	6	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	117.8200	0.666	5	117.9775	0.504	6	117.9775	0.504	6	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)(GeN)	120.1757	0.987	4	120.1757	0.973	4	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeC)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeC)	120.7111	0.901	10	120.7111	0.811	10	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeCl)	120.0790	0.245	4	120.0790	0.060	4	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeGe)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeGe)	121.2885	0.261	2	121.2885	0.068	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeMo)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeMo)	120.2105	1.131	4	120.2105	1.279	4	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeN)	120.4820	2.427	2	120.4820	5.889	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeO)	120.7375	0.151	2	120.7375	0.023	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC3)(GeZn)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC3)(GeZn)	120.4815	1.142	2	120.4815	1.304	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiO3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiO3)(GeO)	120.5305	0.702	2	120.5305	0.493	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	120.3615	0.298	2	120.3615	0.089	2	120.4922	0.770	34	119.9461	1.338	54	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	116.9715	0.124	2	116.9715	0.015	2	116.9715	0.015	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.6280	0.000	1	120.6280	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	118.7360	0.000	1	118.7360	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	123.5975	1.170	2	123.5975	1.370	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	122.6220	0.000	1	122.6220	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	123.2890	0.000	1	121.9503	3.787	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.2810	2.210	2	121.9503	3.787	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	124.0580	0.000	1	124.0580	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	121.7763	0.527	3	121.7763	0.278	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.6160	0.000	1	119.6160	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	117.7650	0.000	1	117.7650	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.5840	0.000	1	120.3277	0.116	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.1995	0.364	2	120.3277	0.116	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	121.9390	0.000	1	121.9390	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCS)	120.2450	0.185	2	120.2450	0.034	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.5830	0.000	1	119.5830	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	120.9360	0.000	1	120.9360	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	117.5200	0.000	1	117.5570	0.003	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	117.5940	0.000	1	117.5570	0.003	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	122.8200	0.000	1	122.8200	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CCO)	119.4780	0.000	1	119.4780	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CRhN)	119.3405	0.698	2	119.3405	0.487	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	118.1450	0.000	1	118.1450	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	120.2350	0.000	1	120.2350	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(COO)	120.9970	0.000	1	120.9970	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[5]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(COO)	119.2990	1.756	2	119.2990	3.085	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.3397	0.639	3	120.3397	0.409	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.3950	0.000	1	119.3950	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	121.2870	0.000	1	121.2870	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	119.6630	0.000	1	119.6630	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	121.1697	0.242	3	121.1697	0.059	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCCH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CHN)	118.6265	0.122	2	118.8455	0.158	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCCH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCCH)(CHN)	119.0645	0.517	2	118.8455	0.158	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CFeN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CFeN)	118.7532	0.632	8	118.7532	0.400	8	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CHN)	118.6730	0.292	6	118.7225	0.399	8	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CHN)	118.8710	1.519	2	118.7225	0.399	8	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CInN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CInN)	118.7107	0.183	3	118.7107	0.033	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CIrN)	118.9175	2.758	2	118.9175	7.609	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CRhN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CRhN)	119.0975	2.138	2	119.0975	4.569	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(CZnN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CZnN)	118.8570	0.863	12	118.8570	0.746	12	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.2665	0.747	2	119.2665	0.559	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.6770	1.301	2	119.6770	1.693	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CHN)	118.2537	0.470	4	118.2537	0.221	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.0865	0.490	2	119.0865	0.240	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CClHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CClHH)(CCO)	119.4820	0.000	1	119.4820	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.0400	0.290	2	120.0400	0.084	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	117.0920	0.000	1	117.0920	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	116.9690	0.346	2	116.9690	0.120	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CAlHH)(CCH)	119.8818	0.760	4	119.8818	0.577	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CBHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CBHH)(CCO)	119.1663	0.672	6	119.1663	0.452	6	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CBeCH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CBeCH)(CCH)	120.4130	2.230	2	120.4130	4.974	2	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCO)	117.8710	0.000	1	117.8710	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CFeN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CFeN)	118.8183	1.064	3	118.8183	1.132	3	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CHN)	118.7414	0.452	8	118.7414	0.205	8	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CHO)	119.4495	0.372	6	119.4495	0.138	6	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CIrN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CIrN)	119.3835	1.825	4	119.3835	3.332	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CNiN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CNiN)	119.4084	1.613	12	119.4084	2.602	12	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(CPdN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(CPdN)	119.1543	0.917	8	119.1543	0.840	8	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CClHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CClHH)(CCO)	118.2960	0.000	1	118.2960	0.000	1	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.1225	0.641	2	119.7578	0.451	5	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	119.5147	0.690	3	119.7578	0.451	5	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)(CHN)	118.8272	0.715	4	118.8272	0.512	4	119.4431	1.979	161	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:P-3:	C[6a](C[6a]C[6a]C)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(PCl2)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(PCl2)	119.9832	0.324	4	119.9832	0.105	4	119.9832	0.105	4	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	123.4837	0.433	3	123.4837	0.188	3	121.5503	3.480	7	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	120.1003	0.542	4	120.1003	0.294	4	121.5503	3.480	7	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:C-3:	C[6a](C[6a]C[6a]C)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GaCl2C)(CCH)	117.8045	0.211	2	117.8045	0.045	2	118.3604	0.324	7	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:C-3:	C[6a](C[6a]C[6a]C)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GaCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GaCl3)(CCH)	118.3817	0.386	3	118.3817	0.149	3	118.3604	0.324	7	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:C-3:	C[6a](C[6a]C[6a]C)2(NGaC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(GaClCC)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GaClCC)(CCH)	118.8845	0.660	2	118.8845	0.435	2	118.3604	0.324	7	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-4:B-3:	C[6a](C[6a]C[6a]C)2(NGeB)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(GeBr3)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GeBr3)(BNN)	118.7840	0.769	4	118.7840	0.591	4	118.7840	0.591	4	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Nb-4:C-3:	C[6a](C[6a]C[6a]C)2(NNbC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(NbNNS)(CCC)	C[6a](C[6a]C[6a]C)2(NNbC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NbNNS)(CCC)	119.2080	0.716	2	119.2080	0.512	2	119.2080	0.512	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:C-3:	C[6a](C[6a]C[6a]C)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PPdCC)(CCO)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PPdCC)(CCO)	119.0625	2.343	2	119.0625	5.488	2	119.2557	2.540	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:C-3:	C[6a](C[6a]C[6a]C)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	119.4625	1.910	2	119.4625	3.648	2	119.2557	2.540	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:C-3:	C[6a](C[6a]C[6a]C)2(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	119.2420	1.846	2	119.2420	3.406	2	119.2557	2.540	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	119.7210	0.000	1	119.7210	0.000	1	119.3248	0.442	5	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	119.2258	0.724	4	119.2258	0.524	4	119.3248	0.442	5	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:C-3:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC3)(CNN)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(CNN)	119.7380	0.863	4	119.7380	0.744	4	119.3887	0.445	10	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:C-3:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiHOO)(CCC)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiHOO)(CCC)	119.2125	0.853	2	119.2125	0.728	2	119.3887	0.445	10	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:C-3:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SiC3)(CNiN)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(CNiN)	118.9715	0.180	2	118.9715	0.033	2	119.3887	0.445	10	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:C-3:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SiCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiCl3)(CCH)	119.2835	0.306	2	119.2835	0.094	2	119.3887	0.445	10	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-3:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBrNi)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBrNi)	119.7085	2.317	2	119.7085	5.369	2	119.7853	2.064	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-3:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiN)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiN)	119.8250	0.881	2	119.8250	0.776	2	119.7853	2.064	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-3:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiO)	119.8225	2.039	2	119.8225	4.156	2	119.7853	2.064	6	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:P-3:	C[6a](C[6a]C[6a]C)2(NSiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	120.1830	0.402	2	120.1830	0.161	2	120.1830	0.161	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-3:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC3)(SiHP)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(SiHP)	119.5120	0.117	2	119.5120	0.014	2	119.5120	0.014	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(COO)	120.2590	0.000	1	120.2590	0.000	1	120.5205	0.137	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(COO)	120.7820	0.000	1	120.7820	0.000	1	120.5205	0.137	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(SiC3)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]N)(SiC3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	119.0950	0.054	2	119.0950	0.003	2	119.0950	0.003	2	119.4961	2.061	224	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.0945	0.467	2	120.0945	0.218	2	119.4755	3.303	11	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.2273	2.600	3	118.2273	6.760	3	119.4755	3.303	11	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.2656	0.496	5	119.2656	0.246	5	119.4755	3.303	11	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CC[6a]HO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.0310	0.000	1	123.0310	0.000	1	119.4755	3.303	11	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	124.8830	0.023	2	124.8830	0.001	2	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHS)2	118.9400	0.000	1	118.9400	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHP)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.8840	0.000	1	118.8840	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.8460	0.000	1	118.8460	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	125.1150	0.000	1	125.1150	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	124.2160	0.000	1	123.7842	0.251	5	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.7140	0.614	3	123.7842	0.251	5	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.5630	0.000	1	123.7842	0.251	5	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	122.7490	0.000	1	122.7490	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.5320	0.000	1	118.5320	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	119.8770	0.000	1	119.8770	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CCHO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.5480	0.000	1	120.5480	0.000	1	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	119.9350	3.789	2	119.9350	14.354	2	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[5]HH)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)2	119.5950	1.906	2	119.5950	3.634	2	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	120.1655	5.362	2	120.1655	28.751	2	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]HH)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	119.1825	2.140	2	119.2853	2.857	4	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CN[5]HH)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[5]HH)2	119.3880	1.987	2	119.2853	2.857	4	121.1484	7.707	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH){3|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	117.3130	0.000	1	117.3130	0.000	1	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	117.5740	0.058	2	117.5740	0.003	2	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CClHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	119.2780	0.000	1	119.2780	0.000	1	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.7608	0.481	4	119.7608	0.232	4	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)2(NCS)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]N)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	119.8850	0.000	1	119.8850	0.000	1	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]C)2(NCS)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(CH3){1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	118.1920	0.000	1	118.1920	0.000	1	118.8859	1.257	10	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	119.8950	0.283	2	119.8950	0.080	2	119.8950	0.080	2	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-4:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	121.0990	0.395	2	121.0990	0.156	2	121.0463	1.443	4	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ge-4:Si-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	120.9935	2.040	2	120.9935	4.162	2	121.0463	1.443	4	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|I<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NCS){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(CCHO){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	117.2080	0.000	1	117.2080	0.000	1	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.3470	0.000	1	120.3470	0.000	1	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	118.7390	0.000	1	118.7390	0.000	1	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.4230	0.209	3	119.4230	0.044	3	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	119.7795	0.681	2	119.7795	0.464	2	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.1410	0.000	1	119.1410	0.000	1	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.0910	0.000	1	118.0910	0.000	1	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.9283	0.840	3	118.9283	0.706	3	119.0876	0.798	13	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)2	120.3640	0.315	2	120.3640	0.099	2	120.3640	0.099	2	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Ge-4:	C[6a](C[6a]C[6a]C)2(NGeSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBr2Ni)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBr2Ni)	119.5330	0.133	2	119.5330	0.018	2	119.5330	0.018	2	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	120.0208	0.726	4	120.0208	0.527	4	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiAsNiH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiAsNiH)(SiC3)	119.8940	1.017	2	119.8940	1.034	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	119.8865	1.353	2	119.8865	1.830	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	120.2450	1.120	2	120.2450	1.255	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiCOO)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiCOO)(SiC3)	120.1255	0.457	2	120.1255	0.209	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	119.6090	0.578	2	119.6090	0.335	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiClNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiClNiN)(SiC3)	120.1615	0.542	2	120.1615	0.294	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiHHP)(SiC3)	119.8792	0.149	6	119.8792	0.022	6	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiNiHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiNiHH)(SiC3)	120.0620	0.959	2	120.0620	0.919	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiNiHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiNiHP)(SiC3)	119.8560	0.153	2	119.8560	0.023	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	120.0030	0.690	2	120.0030	0.476	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(SiO3)	119.6695	0.902	34	119.6695	0.814	34	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	119.8570	0.264	2	119.8570	0.070	2	119.8050	0.587	64	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.4642	0.430	4	117.4642	0.185	4	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.5940	0.000	1	117.5940	0.000	1	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.8520	0.000	1	118.8520	0.000	1	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]CuC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]CuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.6360	0.000	1	117.6360	0.000	1	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]IrC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]IrC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9380	0.000	1	118.9380	0.000	1	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Pd2)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Pd2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.2173	0.184	3	119.2173	0.034	3	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PdC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PdC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.0590	0.000	1	119.0590	0.000	1	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PtC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PtC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.6543	1.901	4	120.6543	3.613	4	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9195	0.480	2	118.9195	0.231	2	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.2430	1.138	7	119.2430	1.295	7	118.9898	1.845	25	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	119.0520	0.000	1	119.0030	0.005	2	119.3397	0.342	3	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	118.9540	0.000	1	119.0030	0.005	2	119.3397	0.342	3	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	120.0130	0.000	1	120.0130	0.000	1	119.3397	0.342	3	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.6870	0.000	1	121.6870	0.000	1	121.6870	0.000	1	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC3)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.1200	0.494	2	117.1200	0.244	2	117.7630	1.362	3	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RhC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RhC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.0490	0.000	1	119.0490	0.000	1	117.7630	1.362	3	119.7554	2.620	169	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:7:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-7:Si-4:	C[6a](C[6a]C[6a]C)2(NSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiTi3O3)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiTi3O3)(SiC3)	119.3545	1.162	2	119.3545	1.350	2	119.3545	1.350	2	119.3545	1.350	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B[4]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NB[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	120.2030	1.701	2	120.2030	2.894	2	120.2030	2.894	2	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	125.3160	0.000	1	125.3160	0.000	1	125.3160	0.000	1	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CF3){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	121.7450	0.000	1	121.7450	0.000	1	119.6568	1.487	9	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(H)	117.4730	0.000	1	117.4730	0.000	1	119.6568	1.487	9	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.2320	0.000	1	120.2320	0.000	1	119.6568	1.487	9	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	119.4285	0.547	4	119.4285	0.299	4	119.6568	1.487	9	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	119.8735	1.112	2	119.8735	1.237	2	119.6568	1.487	9	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	119.8965	2.371	2	119.8965	5.621	2	119.8965	5.621	2	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	In[4]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NIn[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(In[4]N[4]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(In[4]N[4]2N)(C[6a]C[6a]2)(H)	120.0465	1.816	4	120.0465	3.298	4	120.0465	3.298	4	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	119.1515	1.718	2	119.1515	2.950	2	119.1515	2.950	2	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[4,5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NSi[4,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NSi[4,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[4,5]C[4,5]2N[5])(C[6a]C[6a]2)(H)	119.5915	0.661	2	119.5915	0.437	2	119.5915	0.437	2	120.0045	3.090	22	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	B-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	118.8985	2.835	2	118.8985	8.036	2	118.8985	8.036	2	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[4,4]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[4,4]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NC[4,4]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	119.5727	0.990	4	119.5727	0.979	4	119.5727	0.979	4	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5]HH){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	117.4210	0.000	1	117.4210	0.000	1	118.8614	1.015	5	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	119.6275	0.784	2	119.6275	0.615	2	118.8614	1.015	5	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	118.8155	0.439	2	118.8155	0.193	2	118.8614	1.015	5	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(NSi[4]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[4]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[4]N[4]2Ge)(C[6a]C[6a]2)(PC[6a]2)	119.7935	0.315	2	119.7935	0.099	2	119.7935	0.099	2	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(NSi[5]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSi[5]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	120.3905	1.122	2	120.3905	1.259	2	120.3905	1.259	2	119.3842	1.481	15	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[3x6]-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|P<3>}	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	119.9565	0.621	8	119.9565	0.385	8	119.9582	0.312	10	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	119.9650	0.327	2	119.9650	0.107	2	119.9582	0.312	10	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Ge[5]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NGe[5]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	120.1120	0.444	2	120.1120	0.197	2	120.1120	0.197	2	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[3]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	119.7975	0.026	2	119.7975	0.001	2	119.7507	0.660	8	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[3]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	119.7352	0.961	6	119.7352	0.923	6	119.7507	0.660	8	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[4]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[4]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	119.9283	0.321	4	119.9283	0.103	4	119.9283	0.103	4	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[5]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	120.0215	0.927	2	120.0215	0.859	2	119.8957	0.588	4	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[5]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[5]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[5]O[5]2Ni)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[5]O[5]2Ni)(C[6a]C[6a]2)(SiC3)	119.7700	0.918	2	119.7700	0.842	2	119.8957	0.588	4	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[6]-4:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]C)2(NSi[6]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[6]B[5a,6]C[6]H)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[6]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[6]B[5a,6]C[6]H)(C[6a]C[6a]2)(SiC3)	120.1970	0.417	2	120.1970	0.174	2	120.1970	0.174	2	119.8518	0.446	32	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	5:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P[5,5]-5:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	119.5418	0.373	4	119.5418	0.139	4	119.4922	0.263	6	119.4922	0.263	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	5:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P[5,5]-5:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	119.3930	0.932	2	119.3930	0.869	2	119.4922	0.263	6	119.4922	0.263	6	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	5:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Si[3,3]-5:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NSi[3,3]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NSi[3,3]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	119.4425	1.117	2	119.4425	1.247	2	119.4425	1.247	2	119.4425	1.247	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	6:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Nb[3,3]-6:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NNb[3,3]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[3,3]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	119.6455	3.235	2	119.6455	10.465	2	119.6455	10.465	2	119.6455	10.465	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	8:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3]-8:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NNb[5x3]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NNb[5x3]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5x3]C[3,3,5]5CN)(C[6a]C[6a]2)(H)	120.2500	2.061	2	120.2500	4.246	2	120.2500	4.246	2	120.2500	4.246	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:4:	8:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	Nb[5x3]-8:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(NNb[5x3]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[5x3]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	119.5355	2.572	2	119.5355	6.614	2	119.5355	6.614	2	119.5355	6.614	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:5:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-5:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CZrHHN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CZrHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9820	0.038	2	118.9820	0.001	2	118.9820	0.001	2	118.9820	0.001	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	3:3:7:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-7:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH6){1|C<3>,1|C<4>,1|C<7>}	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[3,5]C[3,5]N[3]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[3]C[3]O[3]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4,6]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	120.8840	0.000	1	120.8840	0.000	1	120.7957	0.061	4	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[4]C[4]N[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.6490	0.000	1	120.6490	0.000	1	120.7957	0.061	4	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[4]C[4]O[4]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.8250	0.389	2	120.8250	0.151	2	120.7957	0.061	4	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5,5]C[5,5,6a]C[5,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,7|C<3>}	N(C[6a]C[6a]2)(O)2	124.1056	0.193	7	124.1056	0.037	7	124.1056	0.037	7	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	119.8460	0.000	1	119.8460	0.000	1	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.0550	0.000	1	121.0550	0.000	1	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.4947	0.200	6	121.9054	0.304	10	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.5570	0.000	2	121.9054	0.304	10	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	122.4860	0.000	2	121.9054	0.304	10	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.5440	0.000	1	121.5440	0.000	1	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.9070	0.000	1	121.9070	0.000	1	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(O)2	121.2780	0.911	3	121.3915	0.605	4	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>,3|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N(C[6a]C[6a]2)(O)2	121.7320	0.000	1	121.3915	0.605	4	121.6096	0.537	18	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>,4|C<4>}	N(C[6a]C[6a]2)(O)2	123.3750	0.000	1	123.7635	0.302	2	123.7635	0.302	2	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	124.1520	0.000	1	123.7635	0.302	2	123.7635	0.302	2	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(H)2	121.2230	0.000	1	121.2230	0.000	1	121.5080	0.162	2	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	121.7930	0.000	1	121.7930	0.000	1	121.5080	0.162	2	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	123.3693	0.486	3	123.3693	0.236	3	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.7180	0.019	3	121.2578	0.415	5	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.5675	0.264	2	121.2578	0.415	5	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.9165	0.431	2	121.9165	0.185	2	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.3140	0.000	1	121.3140	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	122.4760	0.000	1	122.5065	0.002	2	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	122.5370	0.000	1	122.5065	0.002	2	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N(C[6a]C[6a]2)(O)2	121.3815	0.583	2	121.3815	0.340	2	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.1595	0.411	2	121.1595	0.169	2	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(O)2	120.8390	0.000	1	120.8390	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	121.7590	0.000	1	121.7590	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(O)2	120.7010	0.000	1	120.7010	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(O)2	121.1910	0.395	2	120.8080	0.353	4	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.4250	0.561	2	120.8080	0.353	4	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(O)2	122.5510	0.000	1	122.5510	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(O)2	120.4410	0.000	1	120.4410	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(O)2	121.2830	0.000	1	121.2830	0.000	1	121.5720	0.866	27	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](CC[5a]C[6a]H)(C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	123.2270	0.262	2	123.2270	0.068	2	123.2270	0.068	2	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[5]C[5,6a]N[5]H)(C[6a]N[6a]N)(C[6a]N[6a]O){3|C<4>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.8840	0.000	1	122.8840	0.000	1	122.8840	0.000	1	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	124.5140	0.000	1	124.5140	0.000	1	124.5140	0.000	1	121.9771	1.457	66	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(OH)2	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	119.8850	0.000	1	119.8850	0.000	1	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	119.4340	0.000	1	119.4340	0.000	1	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.6340	0.000	1	120.1295	0.491	2	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.6250	0.000	1	120.1295	0.491	2	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[6a]C[5]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	119.9690	0.000	1	119.9690	0.000	1	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCO)(H)	123.4305	0.416	4	123.4305	0.173	4	121.4743	3.611	9	121.4743	3.611	9	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	119.8600	0.565	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(NCH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CC[5]HH)(H)	120.5820	0.639	2	120.5820	0.409	2	120.5820	0.409	2	119.8600	0.565	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4120	0.327	2	119.4120	0.107	2	119.4120	0.107	2	119.8600	0.565	5	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	119.3730	0.000	1	119.3730	0.000	1	119.3730	0.000	1	119.7690	0.314	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)(CCO)	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	119.7690	0.314	2	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC)	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]B[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<2>,1|N<4>,3|H<1>}	C[6a](B[6]H[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	121.4027	2.560	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	122.5655	0.657	2	122.1100	0.838	3	122.1100	0.838	3	121.4027	2.560	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.1990	0.000	1	122.1100	0.838	3	122.1100	0.838	3	121.4027	2.560	4	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	126.4630	0.000	1	126.4630	0.000	1	126.4630	0.000	1	126.4630	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP2	C[6a]	C[6a]	N	3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S){1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	119.9928	4.948	59850	119.9699	5.003	60967
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6,6a]	N	3:3:3:	3:4:3:	3:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	N(C[6a]C[6,6,6a]2)(CH3)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]2)(CH3)2	121.2090	3.083	2	121.2090	9.505	2	121.2090	9.505	2	120.6400	5.724	3	120.6400	5.724	3	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6,6a]	N	3:3:3:	3:4:3:	3:4:4:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	N(C[6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	N(C[6a]C[6,6,6a]C[6a])(CH3)2	119.5020	0.000	1	119.5020	0.000	1	119.5020	0.000	1	120.6400	5.724	3	120.6400	5.724	3	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:S[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2){4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]N)(S[6]C[6,6a]){1|H<1>,5|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	117.8270	0.511	2	117.8270	0.261	2	117.8270	0.261	2	117.8270	0.261	2	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	118.4800	0.000	1	118.4800	0.000	1	118.9835	0.507	2	118.9835	0.507	2	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	119.4870	0.000	1	119.4870	0.000	1	118.9835	0.507	2	118.9835	0.507	2	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	121.3585	1.161	4	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	121.3585	1.161	4	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(H)2	121.5555	1.146	2	121.5555	1.314	2	121.5555	1.314	2	121.3585	1.161	4	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.9660	0.000	2	119.9660	0.000	2	119.9660	0.000	2	119.9077	0.181	6	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(CH3)(H)	120.2740	0.512	2	120.2740	0.262	2	120.2740	0.262	2	119.9077	0.181	6	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	119.9077	0.181	6	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.9077	0.181	6	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	120.4700	0.000	1	120.6670	0.078	2	120.6670	0.078	2	120.6670	0.078	2	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	120.8640	0.000	1	120.6670	0.078	2	120.6670	0.078	2	120.6670	0.078	2	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6,6a]	N	3:3:3:	3:4:3:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(CH3)2	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	120.0418	1.448	20	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a,6a]N[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6,6a]H)(C[6a]N[6a]N){3|C<3>}	N(C[6a]C[6a,6a]N[6a])(H)2	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.9640	0.591	2	118.9640	0.349	2	118.9640	0.349	2	118.9640	0.349	2	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	116.6273	3.235	3	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	116.9260	0.000	1	117.5920	0.887	2	117.5920	0.887	2	116.6273	3.235	3	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.2580	0.000	1	117.5920	0.887	2	117.5920	0.887	2	116.6273	3.235	3	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	117.2545	0.692	4	117.5816	0.894	5	117.5816	0.894	5	116.7296	1.662	9	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	118.8900	0.000	1	117.5816	0.894	5	117.5816	0.894	5	116.7296	1.662	9	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	116.0765	0.153	2	115.6645	0.516	4	115.6645	0.516	4	116.7296	1.662	9	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	115.2525	0.920	2	115.6645	0.516	4	115.6645	0.516	4	116.7296	1.662	9	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.1140	0.000	1	119.1140	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.7990	0.000	1	118.7990	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.1550	0.000	1	119.2710	2.491	2	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.3870	0.000	1	119.2710	2.491	2	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)(C[6a]C[6a]O){1|C<4>,2|F<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.8060	0.000	1	122.8060	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.7220	0.000	1	122.7220	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	124.1510	0.000	1	124.1510	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4670	0.000	1	119.7987	0.403	11	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.8297	0.804	3	119.7987	0.403	11	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.4500	0.767	2	119.7987	0.403	11	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.7860	0.604	5	119.7987	0.403	11	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.4380	0.654	6	121.4380	0.427	6	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.3840	0.000	1	121.3840	0.000	1	120.5573	2.144	25	120.5573	2.144	25	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.8250	0.817	2	120.8250	0.668	2	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.0960	0.000	1	123.0960	0.000	1	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.1260	0.000	1	119.8675	1.100	2	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6090	0.000	1	119.8675	1.100	2	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	117.5880	0.000	1	117.5880	0.000	1	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.8790	0.000	1	122.8790	0.000	1	120.7069	3.893	7	120.4810	3.745	8	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	119.4290	0.569	2	119.4290	0.323	2	119.4290	0.323	2	118.9962	0.700	6	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	118.9962	0.700	6	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	118.9962	0.700	6	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	118.9962	0.700	6	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	118.9962	0.700	6	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|F<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6,6a])(CC3)(H)	123.7380	0.000	1	123.7380	0.000	1	123.7380	0.000	1	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(CC3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(CC3)(H)	121.0750	2.588	2	121.0750	6.698	2	121.0750	6.698	2	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	120.7865	1.723	2	120.7865	2.969	2	120.7865	2.969	2	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(C[6a]C[6a]O)	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	122.4530	0.000	1	122.4530	0.000	1	122.4530	0.000	1	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	120.0490	0.000	1	120.0490	0.000	1	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	121.1135	0.062	2	121.1135	0.004	2	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	120.9330	0.000	1	120.9330	0.000	1	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	117.8610	0.000	1	117.8610	0.000	1	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	118.0910	0.000	1	118.0910	0.000	1	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	120.0430	0.000	2	120.0430	0.000	2	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	119.9312	0.696	5	119.9312	0.484	5	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	120.2870	0.000	2	120.2870	0.000	2	119.9651	0.978	15	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	117.8140	0.000	1	117.8140	0.000	1	117.8140	0.000	1	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.7270	0.000	1	117.7270	0.000	1	119.6380	4.017	5	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|N<3>,1|N<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	121.4495	0.941	2	121.0013	1.045	3	119.6380	4.017	5	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	120.1050	0.000	1	121.0013	1.045	3	119.6380	4.017	5	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<3>,3|N<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.4590	0.000	1	117.4590	0.000	1	119.6380	4.017	5	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	120.1543	2.825	29	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H)	N(C[6a]C[6a,6a]2)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]2)(CH3)2	120.1175	4.190	2	120.1175	17.553	2	120.1175	17.553	2	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	114.7070	0.000	1	114.7070	0.000	1	116.6735	7.734	2	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.6400	0.000	1	118.6400	0.000	1	116.6735	7.734	2	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.0170	0.932	3	120.0170	0.869	3	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	119.2880	1.329	2	119.2880	1.767	2	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	118.5270	0.000	1	118.5270	0.000	1	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.4160	0.211	2	119.4160	0.044	2	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.0340	0.047	2	120.0027	3.192	3	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]N)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.9400	0.000	1	120.0027	3.192	3	119.6358	1.234	11	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.0120	0.000	1	117.0120	0.000	1	117.5373	0.974	3	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.6760	0.000	1	117.8000	1.535	2	117.5373	0.974	3	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,3|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	116.9240	0.000	1	117.8000	1.535	2	117.5373	0.974	3	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.9150	0.000	1	117.9150	0.000	1	117.9150	0.000	1	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS){5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.2090	0.000	1	120.2090	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.8683	4.435	4	120.0643	16.489	7	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.3257	4.447	3	120.0643	16.489	7	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	115.6690	0.000	1	117.6830	2.003	4	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.3543	0.547	3	117.6830	2.003	4	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.6200	0.000	1	119.6200	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	118.7660	0.000	1	118.7660	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	118.7910	0.000	1	118.7910	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.5910	0.000	1	113.5898	16.053	29	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	115.9345	0.176	2	113.5898	16.053	29	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|N<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	110.4232	1.420	4	113.5898	16.053	29	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	113.2762	4.373	17	113.5898	16.053	29	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	115.2508	3.387	5	113.5898	16.053	29	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	117.0840	0.260	2	117.0840	0.068	2	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.4555	0.518	2	118.0881	0.563	27	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.0776	0.795	23	118.0881	0.563	27	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.6350	0.000	1	118.0881	0.563	27	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.0480	0.000	1	118.0881	0.563	27	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]In)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|In<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]In)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.0370	0.000	1	118.0370	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|C<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.1215	2.288	4	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.2420	0.209	2	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.1079	0.569	39	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{3|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.8560	0.000	1	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,2|H<1>,2|N<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.7250	0.000	1	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.6111	0.542	32	118.3964	0.593	79	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Sb<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.5140	0.000	1	118.5140	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Se<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	114.9480	0.000	1	114.9480	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.1525	0.573	2	117.1525	0.329	2	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N)2{1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.5210	0.000	1	118.5210	0.000	1	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	118.6960	4.888	2	116.7900	12.826	4	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N)2{1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	114.8840	0.243	2	116.7900	12.826	4	117.4692	7.721	162	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6,6]-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|P<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	115.8090	0.000	1	115.8090	0.000	1	115.8090	0.000	1	117.6622	7.575	184	118.3034	7.325	268	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	2:3:3:	2:3:1:	3:4:1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NHS){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	122.5250	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	2:3:3:	2:3:4:	3:3:3:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(CH3){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	118.9860	0.000	1	119.4390	1.157	3	119.4390	1.157	3	119.4390	1.157	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.6655	1.416	2	119.4390	1.157	3	119.4390	1.157	3	119.4390	1.157	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	2:3:3:	3:3:3:	3:1:1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(NHH){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.5760	0.000	1	119.5760	0.000	1	119.5760	0.000	1	119.5760	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	2:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(NHH){1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]N[6a]N){2|H<1>,4|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:2:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.8667	0.451	4	123.8667	0.203	4	123.8667	0.203	4	123.8667	0.203	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:2:2:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NCC){1|C<2>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)2	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:2:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Br){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(Cl){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	121.5800	0.000	1	121.5800	0.000	1	121.9530	0.278	2	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(F){1|C<3>,1|F<1>}	N(C[6a]C[6a]N[6a])(H)2	122.3260	0.000	1	122.3260	0.000	1	121.9530	0.278	2	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.1750	0.000	1	121.6958	0.495	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.0535	0.687	2	121.6958	0.495	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Br<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2920	0.000	1	121.6958	0.495	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	120.9050	0.000	1	121.6958	0.495	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|I<1>}	N(C[6a]C[6a]N[6a])(H)2	120.7070	0.000	1	120.7070	0.000	1	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.8990	0.000	1	120.8990	0.000	1	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	122.2550	0.000	1	122.2550	0.000	1	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.7460	0.000	1	121.5324	0.161	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.4790	0.443	4	121.5324	0.161	5	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|N<2>,1|N<3>}	N(C[6a]C[6a]N[6a])(H)2	120.1820	0.570	2	120.1820	0.325	2	121.3577	0.563	15	121.6050	0.789	19	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:2:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NC)(H)	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	121.1356	4.886	8	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	121.1356	4.886	8	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.9180	2.222	4	121.9180	4.936	4	121.9180	4.936	4	121.1356	4.886	8	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(NCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(NCH)(H)	122.2425	0.305	2	122.2425	0.093	2	122.2425	0.093	2	121.1356	4.886	8	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	120.8245	0.359	2	120.8245	0.129	2	120.8245	0.129	2	120.8245	0.129	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(Br)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(Br){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.5350	0.590	2	121.5350	0.348	2	121.0712	1.949	43	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CCHH)	120.5975	1.100	2	120.5975	1.209	2	121.0712	1.949	43	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	121.0581	1.462	38	121.0581	2.139	38	121.0712	1.949	43	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(H)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(H){1|C<3>}	N(C[6a]C[6a]N[6a])2(CH3)	121.5900	0.000	1	121.5900	0.000	1	121.0712	1.949	43	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(N[6a]C[6a]2)(CH3)	121.7570	0.399	3	121.7570	0.159	3	121.7570	0.159	3	121.1154	1.808	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	121.7170	0.000	1	122.0815	0.266	2	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.4460	0.000	1	122.0815	0.266	2	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CCHH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CCHH)(H)	120.5490	0.000	1	120.5490	0.000	1	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	119.2860	0.000	1	122.0392	3.604	6	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.7720	0.000	1	122.0392	3.604	6	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]HH)(H)	122.5443	1.721	4	122.0392	3.604	6	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CHHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHN)(H)	121.9230	0.000	1	121.9230	0.000	1	121.8870	2.255	10	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Ru)(H)	123.6140	0.000	1	123.6140	0.000	1	123.0193	0.308	3	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(PNNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(PNNO)(H)	122.7220	0.293	2	122.7220	0.086	2	123.0193	0.308	3	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.0830	1.348	3	122.0378	7.138	5	122.5819	5.625	7	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	120.4700	4.090	2	122.0378	7.138	5	122.5819	5.625	7	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NHS){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|Cl<1>,1|N<2>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(H)	123.9420	0.117	2	123.9420	0.014	2	122.5819	5.625	7	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:1:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(H)	N(C[6a]C[6a]O[6a])(CH3)(H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(NCH){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(CH3)(H)	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	122.5918	4.711	21	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(CC3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a]N[6a])(CC3)(OH)	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CH3)	119.0830	0.000	1	119.0830	0.000	1	118.8780	0.084	2	118.8780	0.084	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CHHO)	118.6730	0.000	1	118.6730	0.000	1	118.8780	0.084	2	118.8780	0.084	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	120.0050	0.000	1	119.8380	0.056	2	119.8380	0.056	2	119.8380	0.056	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:1:	4:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]N[6a])(H)	119.6710	0.000	1	119.8380	0.056	2	119.8380	0.056	2	119.8380	0.056	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(H)2	121.6020	0.000	1	121.6020	0.000	1	121.6020	0.000	1	121.4993	0.677	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a])	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(N[6a]N[6a]){1|F<1>,1|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	121.4993	0.677	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC){2|C<3>}	N(C[6a]C[6a]N[6a])(H)2	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	121.4993	0.677	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.8110	0.000	1	122.8110	0.000	1	122.8110	0.000	1	121.2077	1.982	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(SC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	120.4060	0.328	2	120.4060	0.108	2	120.4060	0.108	2	121.2077	1.982	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC)	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CC[6a]CH)(H)	125.0330	0.000	1	125.0330	0.000	1	125.0330	0.000	1	121.5537	9.633	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:2:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP)	N(C[6a]C[6a]N[6a])(CHHP)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OP){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(CHHP)(H)	119.8140	1.052	2	119.8140	1.107	2	119.8140	1.107	2	121.5537	9.633	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NHH){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]N[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	122.0714	2.090	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]N[6a])(H)2	123.4175	0.111	2	123.4175	0.012	2	123.4175	0.012	2	122.0714	2.090	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|Cl<1>,1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	119.9370	0.000	1	119.9370	0.000	1	120.9070	1.882	2	122.0714	2.090	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]N)2(NHH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.8770	0.000	1	121.8770	0.000	1	120.9070	1.882	2	122.0714	2.090	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.3760	0.000	1	119.3760	0.000	1	122.2750	4.057	5	122.1405	3.354	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.8315	0.001	2	121.8315	0.000	2	122.2750	4.057	5	122.1405	3.354	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N)2(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	124.5300	0.000	1	124.5300	0.000	1	122.2750	4.057	5	122.1405	3.354	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)(CHN){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.8060	0.000	1	123.8060	0.000	1	122.2750	4.057	5	122.1405	3.354	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	122.1405	3.354	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:N-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]N[6a])(CCO)(NC)	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(CH3)	120.8960	0.503	2	120.8960	0.253	2	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.2650	0.000	1	122.1800	1.674	2	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CHO){2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	123.0950	0.000	1	122.1800	1.674	2	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(COO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	122.0938	0.801	4	122.0938	0.642	4	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.4510	0.240	2	121.4510	0.058	2	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CHN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHN){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.3280	0.000	1	120.3280	0.000	1	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CHO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]N)2(CHO){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.9600	0.000	1	119.9600	0.000	1	121.4764	0.975	12	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(NHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(NHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	121.3805	1.013	13	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:3:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]O[6a]N)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(NCS){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]O[6a]N){3|H<1>,5|C<3>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NHH){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]H)(C[6a]N[6a]N)(CC[6a]HH){1|C<3>}	N(C[6a]C[6a]N[6a])(H)2	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	125.6660	0.000	1	125.6660	0.000	1	123.7088	3.604	5	123.7088	3.604	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.5730	0.000	1	123.2195	3.209	4	123.7088	3.604	5	123.7088	3.604	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]N)2(CCHH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[6a]N)2(CCHH){1|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	124.1017	0.380	3	123.2195	3.209	4	123.7088	3.604	5	123.7088	3.604	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:2:3:	3:3:4:	3:4:4:	C[6a]-3:O[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3)	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(NCS){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(CH3){1|H<1>,3|C<3>}	N(C[6a]C[6a]O[6a])(CC[6a]HH)(SC[6a]OO)	126.3610	0.000	1	126.3610	0.000	1	126.3610	0.000	1	126.3610	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	120.8515	0.762	10	120.8067	0.545	11	120.8067	0.545	11	120.3991	0.518	22	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CNO){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	120.3590	0.000	1	120.8067	0.545	11	120.8067	0.545	11	120.3991	0.518	22	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	119.5250	0.000	1	119.5250	0.000	1	119.9915	0.178	11	120.3991	0.518	22	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	120.0382	0.413	10	120.0382	0.171	10	119.9915	0.178	11	120.3991	0.518	22	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	2:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4560	0.000	1	119.4560	0.000	1	119.4560	0.000	1	119.4560	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	O[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]N){1|O<1>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.4063	0.536	3	123.4063	0.287	3	123.4063	0.287	3	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.1970	0.000	1	122.1970	0.000	1	122.1970	0.000	1	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8000	0.000	1	119.7452	6.987	6	119.7452	6.987	6	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.8120	0.000	1	119.7452	6.987	6	119.7452	6.987	6	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	116.8680	1.591	2	119.7452	6.987	6	119.7452	6.987	6	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.5615	1.999	2	119.7452	6.987	6	119.7452	6.987	6	121.0887	7.076	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	123.7680	0.000	1	123.7680	0.000	1	123.7680	0.000	1	122.3513	2.835	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.6430	1.631	2	121.6430	2.659	2	121.6430	2.659	2	122.3513	2.835	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|N<2>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.4913	2.393	3	121.4913	5.725	3	121.4913	5.725	3	121.4913	5.725	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:O[6a]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(O[6a]C[6a])(NHH){1|O<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	121.0020	9.851	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CNO){1|Cl<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.1220	0.273	2	119.1220	0.074	2	119.1220	0.074	2	121.0020	9.851	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	124.3980	0.031	2	124.3980	0.001	2	124.3980	0.001	2	121.0020	9.851	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:2:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	N(C[6a]C[6a]2)(CC[6a]2H)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NCH){1|C<3>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]2H)(H)	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	121.2660	0.000	1	121.8193	0.608	3	121.7500	0.424	4	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	122.0960	0.870	2	121.8193	0.608	3	121.7500	0.424	4	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[5,6a]C[6a])(H)2	121.5420	0.000	1	121.5420	0.000	1	121.7500	0.424	4	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	124.4583	0.529	3	124.4583	0.279	3	124.4583	0.279	3	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	118.2100	0.000	1	118.2100	0.000	1	120.5493	4.528	3	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(H)2	121.7190	0.921	2	121.7190	0.848	2	120.5493	4.528	3	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(NHH){1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]N[6])(F){1|F<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	116.9350	0.000	1	119.6228	1.807	19	119.6228	1.807	19	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	118.9828	0.698	6	119.6228	1.807	19	119.6228	1.807	19	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	116.7200	0.000	1	119.6228	1.807	19	119.6228	1.807	19	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4820	0.559	6	119.6228	1.807	19	119.6228	1.807	19	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|S<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	120.4780	0.764	5	119.6228	1.807	19	119.6228	1.807	19	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(H)2	120.3690	0.000	1	120.3690	0.000	1	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	117.5020	0.028	2	117.5020	0.001	2	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5070	0.214	4	121.5070	0.046	4	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)(H)2	118.9885	1.432	2	118.9885	2.050	2	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.7150	0.000	1	119.2750	0.148	3	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.1080	0.000	1	119.2750	0.148	3	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.0020	0.000	1	119.2750	0.148	3	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	119.8740	0.000	1	119.8740	0.000	1	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.7450	0.255	2	121.7450	0.065	2	120.0378	2.425	15	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.2600	0.696	2	120.2600	0.484	2	120.3347	0.259	3	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4840	0.000	1	120.4840	0.000	1	120.3347	0.259	3	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.2110	0.000	1	121.2110	0.000	1	120.8363	1.776	6	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.5970	0.785	2	120.7614	2.178	5	120.8363	1.776	6	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.1920	0.000	1	120.7614	2.178	5	120.8363	1.776	6	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.2105	0.927	2	120.7614	2.178	5	120.8363	1.776	6	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(H)2	121.6300	0.000	1	121.4490	0.318	3	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8170	0.000	1	121.4490	0.318	3	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.9000	0.000	1	121.4490	0.318	3	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.7153	0.528	3	121.7153	0.278	3	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.3970	0.003	2	120.3970	0.000	2	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.7440	0.000	1	122.7440	0.000	1	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.4130	0.000	1	121.4130	0.000	1	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.1590	0.000	1	123.1590	0.000	1	121.6003	0.797	11	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NHH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(O){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Br){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.7590	0.000	1	122.7590	0.000	1	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.8420	0.000	1	121.5855	0.132	2	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.3290	0.000	1	121.5855	0.132	2	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	122.1490	0.000	1	121.4830	0.887	2	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.8170	0.000	1	121.4830	0.887	2	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.6530	0.000	1	121.6530	0.000	1	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	124.8420	0.000	1	124.8420	0.000	1	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Br){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.4026	0.269	7	122.4026	0.073	7	122.3006	0.844	14	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.2405	0.277	4	121.2405	0.076	4	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.2260	0.000	1	121.2260	0.000	1	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5290	0.000	1	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.3377	0.317	3	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.1775	0.159	2	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.4460	0.000	1	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.7750	0.000	1	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5393	0.507	3	121.8851	0.222	11	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	122.2610	0.310	2	122.2610	0.096	2	121.7470	0.269	18	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9830	0.000	1	120.7760	0.086	2	121.6685	0.375	20	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.5690	0.000	1	120.7760	0.086	2	121.6685	0.375	20	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(H)2	121.5692	0.462	12	121.6677	0.255	16	121.6685	0.375	20	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.9633	0.580	4	121.6677	0.255	16	121.6685	0.375	20	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(H)2	122.5675	0.029	2	122.5675	0.001	2	121.6685	0.375	20	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.3825	0.540	2	121.0913	1.319	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.7280	0.000	1	121.0913	1.319	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0520	0.000	1	121.0913	1.319	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.9550	0.000	1	121.0913	1.319	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.0480	0.000	1	121.0913	1.319	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.9690	0.000	1	119.1600	0.577	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.2555	1.049	2	119.1600	0.577	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.1710	0.000	1	119.3450	0.693	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2510	0.000	1	119.3450	0.693	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6130	0.000	1	119.3450	0.693	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.2130	0.000	1	120.3133	0.973	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.2570	0.242	2	120.3133	0.973	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.5680	0.000	1	120.3133	0.973	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.2925	0.931	2	120.3133	0.973	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(H)2	118.1787	0.219	3	118.1787	0.048	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7383	0.744	3	119.7091	1.314	8	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9785	0.186	2	119.7091	1.314	8	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.6430	0.000	1	119.7091	1.314	8	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.9050	0.000	1	119.7091	1.314	8	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.9530	0.000	1	119.7091	1.314	8	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.1080	0.000	1	119.6400	0.130	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.6960	0.000	1	119.6400	0.130	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.7987	0.283	3	119.6400	0.130	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4500	0.000	1	119.4500	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.2150	0.000	1	121.2150	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	117.5200	0.000	1	117.5200	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.6410	0.000	1	118.5015	0.039	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.3620	0.000	1	118.5015	0.039	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.7610	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	116.4347	0.259	3	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6160	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.7410	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.6760	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.1320	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.0623	0.839	10	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(H)2	119.3250	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.8040	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.9984	1.087	22	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.3590	0.000	1	119.1932	1.660	43	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	119.4440	0.000	1	119.4440	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.4660	0.000	1	119.4660	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7007	0.239	4	118.7007	0.057	4	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.7960	0.000	1	118.9117	0.333	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.5380	0.000	1	118.9117	0.333	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.4010	0.000	1	118.9117	0.333	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.4070	0.000	1	118.9930	0.343	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.5790	0.000	1	118.9930	0.343	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.6980	0.623	3	120.7835	0.288	4	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.0400	0.000	1	120.7835	0.288	4	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.2040	0.000	1	121.2040	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.5840	0.020	2	120.5840	0.000	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.0680	0.000	1	120.8742	0.021	4	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8097	0.078	3	120.8742	0.021	4	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.5990	0.000	1	122.5990	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.8160	0.000	1	122.8160	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	119.4430	0.000	1	119.4430	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.9590	0.000	1	121.9590	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.2490	0.000	1	120.6415	0.308	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.0340	0.000	1	120.6415	0.308	2	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.8410	0.000	1	121.5463	0.102	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.3960	0.263	2	121.5463	0.102	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.4970	0.436	3	121.5463	0.102	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.7000	0.000	1	121.5463	0.102	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.4980	0.000	1	120.4980	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.7860	0.000	1	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.9260	0.000	1	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.5388	0.521	10	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.1512	0.815	24	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.0656	1.130	22	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.3410	0.000	1	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|N<4>}	N(C[6a]C[6a]2)(H)2	118.0640	0.000	1	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.7743	0.564	3	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.3535	0.687	2	121.1170	0.925	65	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.1967	0.404	3	121.1967	0.163	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.2400	0.000	1	121.2400	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.7480	0.000	1	122.7480	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(H)2	120.9700	0.000	1	120.9700	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.7920	0.000	1	122.0213	0.575	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<4>}	N(C[6a]C[6a]2)(H)2	122.8680	0.000	1	122.0213	0.575	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.4040	0.000	1	122.0213	0.575	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.1295	0.203	2	121.6408	0.909	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.6570	0.000	1	121.6408	0.909	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.6440	0.304	2	121.6408	0.909	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.8343	0.536	3	121.8343	0.288	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<4>}	N(C[6a]C[6a]2)(H)2	118.2690	0.000	1	120.0639	0.449	12	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.2911	0.466	7	120.0639	0.449	12	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.1150	0.123	4	120.0639	0.449	12	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.3840	0.000	1	122.8020	10.955	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.4585	1.698	2	122.8020	10.955	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.0010	0.000	1	122.8020	10.955	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.7550	6.001	2	122.8020	10.955	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NHH){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.9610	0.000	1	122.9610	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	119.7200	0.000	1	120.3277	2.522	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.6315	2.119	2	120.3277	2.522	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8858	0.398	6	119.8858	0.158	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0330	0.000	1	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.8855	0.424	2	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.3660	0.000	1	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.6770	0.000	1	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4763	0.407	6	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.5190	0.701	2	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5432	0.657	6	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6235	0.824	8	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.0260	0.000	1	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.6888	0.453	11	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.5990	0.000	1	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|N<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7100	0.246	2	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.4765	0.441	2	120.5583	0.307	44	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.9230	0.000	1	120.0160	0.629	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4600	0.000	1	120.0160	0.629	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.0240	1.626	2	120.0160	0.629	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8325	0.476	2	120.0160	0.629	6	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.7140	0.000	1	120.0610	0.734	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.0910	0.000	1	120.0610	0.734	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.3780	0.000	1	120.0610	0.734	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1880	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.0480	0.948	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.4270	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0810	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4393	0.678	6	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.1200	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.9030	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.4520	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3180	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.3967	0.070	4	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.5395	0.299	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.4852	0.776	12	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3097	0.628	3	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0378	0.493	4	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.9140	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.2909	0.472	25	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	121.4460	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	122.1810	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.0690	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.9270	0.984	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|As<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.6740	0.739	8	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.3837	0.482	3	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.7953	0.800	10	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.5681	0.669	60	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.6200	0.283	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.3690	1.001	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	120.2306	1.131	20	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.7528	0.604	38	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	120.9130	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	120.5612	0.888	22	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<1>}	N(C[6a]C[6a]2)(H)2	120.9905	0.565	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.6004	0.471	18	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(H)2	120.3185	0.544	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	120.6848	0.932	193	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<6>}	N(C[6a]C[6a]2)(H)2	121.2580	0.393	2	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5488	0.539	12	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.8137	0.778	171	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3870	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.5460	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.5930	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.8734	0.613	12	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3370	0.000	1	120.6903	0.656	653	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.6940	0.000	1	120.7269	0.479	26	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.7682	0.673	25	120.7269	0.479	26	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	120.2250	0.000	1	120.4100	0.580	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	120.1680	0.000	1	120.4100	0.580	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.4870	0.000	1	120.4100	0.580	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	121.0850	0.682	2	120.4100	0.580	5	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.3890	0.000	1	121.3890	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|B<3>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.7418	0.434	6	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.6880	0.000	1	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	120.0630	0.662	4	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.8510	0.863	2	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.0405	0.640	12	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.3820	0.941	3	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8888	1.421	4	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|N<4>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3115	0.293	2	120.2619	0.577	34	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)2(NHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	122.8830	0.000	1	122.8830	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.2930	0.000	1	120.6783	0.308	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.3710	0.222	2	120.6783	0.308	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.6360	0.000	1	121.3230	0.188	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.2708	0.450	6	121.3230	0.188	7	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.6980	0.000	1	118.6980	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Te<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.4770	0.000	1	119.4770	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	121.7310	0.431	3	121.7310	0.185	3	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	122.3300	0.000	1	122.3300	0.000	1	120.6098	1.004	1017	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(O)2	123.4295	5.300	2	123.4295	28.088	2	123.4295	28.088	2	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.4450	0.000	1	122.4450	0.000	1	121.7697	0.233	7	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]I)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]I)2(NHH){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	N(C[6a]C[6a]2)(H)2	121.6572	0.417	6	121.6572	0.174	6	121.7697	0.233	7	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(NHH){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(O){1|C<3>,1|N<3>,1|O<1>}	N(C[6a]C[6a]2)(H)2	118.3780	1.045	2	118.3780	1.092	2	118.3780	1.092	2	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(H)2	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	120.6721	1.235	1148	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)(H)	123.6740	0.412	2	123.6740	0.169	2	123.6740	0.169	2	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]Cl)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]Cl)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(NC)(H)	121.3805	0.145	2	121.3805	0.021	2	121.3805	0.021	2	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(NC)(H)	119.7800	0.000	1	119.7800	0.000	1	120.3766	2.912	18	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a])(H)	121.6260	0.000	1	121.6260	0.000	1	120.3766	2.912	18	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	122.0780	0.000	1	120.4344	3.231	15	120.3766	2.912	18	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	120.3170	1.805	14	120.4344	3.231	15	120.3766	2.912	18	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	118.8570	0.000	1	118.8570	0.000	1	120.3766	2.912	18	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(OH)(H)	116.7390	0.308	2	116.7390	0.095	2	118.8618	6.839	5	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(OH)(H)	122.0810	0.000	1	122.0810	0.000	1	118.8618	6.839	5	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]H)2(NHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(NHO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OC)(H)	119.3750	2.712	2	119.3750	7.357	2	118.8618	6.839	5	120.4147	4.317	27	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:C-3:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OC[6])(CCO)	120.4275	0.949	4	120.4275	0.900	4	120.4275	0.900	4	120.4275	0.900	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-2:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6])(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6])(CH3)	120.8280	0.891	2	120.8280	0.794	2	120.8280	0.794	2	120.8280	0.794	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	125.5540	0.000	1	125.5540	0.000	1	125.5540	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	124.2790	0.000	1	124.2790	0.000	1	124.2790	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	126.5910	0.000	1	126.5910	0.000	1	126.5910	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	121.9650	0.000	1	121.9650	0.000	1	121.9745	0.000	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CNO)(H)	121.9840	0.000	1	121.9840	0.000	1	121.9745	0.000	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	120.4950	0.000	1	120.4950	0.000	1	123.0635	13.194	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	125.6320	0.000	1	125.6320	0.000	1	123.0635	13.194	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.9790	0.000	1	122.9790	0.000	1	123.3763	0.724	3	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	123.5750	1.100	2	123.5750	1.211	2	123.3763	0.724	3	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N(C[6a]C[6a]2)2(H)	124.3550	0.000	1	124.3550	0.000	1	124.3550	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)2(H)	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	120.8780	0.340	4	120.8780	0.116	4	120.8780	0.116	4	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.8980	0.000	1	121.8980	0.000	1	122.0425	0.540	47	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.0370	0.000	1	121.0370	0.000	1	122.0425	0.540	47	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.1060	0.000	1	122.0680	0.540	45	122.0425	0.540	47	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	122.0899	0.728	44	122.0680	0.540	45	122.0425	0.540	47	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.2927	1.099	3	119.2927	1.208	3	119.2927	1.208	3	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.7430	0.000	1	120.7430	0.000	1	121.5637	1.417	3	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.9740	1.351	2	121.9740	1.824	2	121.5637	1.417	3	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	118.4550	0.000	1	118.4550	0.000	1	118.4550	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]F)2(NHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(NHP)(H)	C[6a](C[6a]C[6a]F)2(NHN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(NHP)(H)	122.0327	4.540	4	122.0327	20.608	4	122.0327	20.608	4	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	120.1968	0.659	30	120.1968	0.435	30	120.2607	1.006	36	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	120.5745	1.370	2	120.5745	1.876	2	120.2607	1.006	36	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.5838	2.582	4	120.5838	6.664	4	120.2607	1.006	36	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	117.7860	0.000	1	117.7860	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	117.2110	0.000	1	117.2110	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.4520	0.000	1	118.4520	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	116.7529	0.367	13	116.7529	0.135	13	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.9880	0.856	2	119.9880	0.732	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]N)(H)	117.6650	0.000	1	117.6650	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5900	0.000	1	118.5900	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	121.1540	0.000	1	121.1540	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.2900	0.000	1	119.2900	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCO)(H)	124.3920	0.000	1	124.3920	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	119.7755	3.094	2	119.7755	9.570	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.6030	0.000	1	117.6030	0.000	1	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)(H)	120.0920	5.776	2	120.0920	33.358	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[3]O)(H)	119.9770	5.769	2	119.9770	33.276	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.1880	2.571	2	120.1880	6.610	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.9935	1.076	2	119.9935	1.157	2	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNO)(H)	120.1180	5.868	2	120.4452	13.673	10	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	120.2025	2.682	6	120.4452	13.673	10	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(H)	121.5005	7.062	2	120.4452	13.673	10	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.9940	3.363	2	119.8367	8.174	6	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CNS)(H)	119.9375	5.057	2	119.8367	8.174	6	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	119.5785	1.947	2	119.8367	8.174	6	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.2795	4.528	2	120.2365	5.245	6	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[6]O)(H)	120.2150	1.381	4	120.2365	5.245	6	119.1938	7.803	56	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	120.2175	5.372	2	120.2175	28.857	2	120.1012	10.962	4	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	119.9850	1.994	2	119.9850	3.976	2	120.1012	10.962	4	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	121.2480	0.000	1	121.2480	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.0440	0.000	1	120.0440	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.4715	2.507	2	121.2733	1.253	36	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	121.7159	0.609	24	121.2733	1.253	36	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.7073	1.187	9	121.2733	1.253	36	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.3500	0.000	1	121.2733	1.253	36	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	118.9850	0.000	1	118.2655	1.035	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.5460	0.000	1	118.2655	1.035	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.1050	0.000	1	120.1050	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6680	0.000	1	120.6680	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.1948	1.891	5	122.1166	2.464	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<4>}	N(C[6a]C[6a]2)2(H)	122.3510	0.000	1	122.1166	2.464	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)2(H)	121.4910	0.000	1	122.1166	2.464	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	117.3620	0.556	2	117.3620	0.309	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	121.5708	2.068	8	121.5708	4.279	8	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.4110	0.000	1	121.4110	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<4>}	N(C[6a]C[6a]2)2(H)	121.1710	1.997	2	121.1710	3.987	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|S<4>}	N(C[6a]C[6a]2)2(H)	121.5030	0.000	1	121.5030	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.9530	0.000	1	118.9530	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.8140	0.000	1	119.8140	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	121.0695	1.689	2	121.0695	2.854	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	121.4960	0.000	1	120.6809	1.385	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.5905	2.353	2	120.6809	1.385	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.5222	0.816	4	120.6809	1.385	7	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.2995	3.545	2	120.2095	7.163	4	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	120.1195	2.982	2	120.2095	7.163	4	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.1850	0.000	1	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	123.4150	0.000	2	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.2228	2.507	6	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)2(H)	120.8735	3.246	2	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	120.8230	1.853	2	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	119.5828	2.804	4	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.1529	1.981	16	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	120.5400	1.602	2	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(H)	120.9725	0.562	2	120.4202	4.286	37	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.0860	2.551	2	120.6138	2.288	6	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.3777	1.192	4	120.6138	2.288	6	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	116.6920	0.000	2	116.6920	0.000	2	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	122.9640	0.000	1	122.9640	0.000	1	120.7572	3.300	124	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	121.4410	0.343	4	121.4410	0.118	4	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	122.0260	0.000	1	122.0260	0.000	1	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.1530	0.000	1	120.2980	0.042	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.4430	0.000	1	120.2980	0.042	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	122.0300	0.000	1	122.1763	0.027	3	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	122.2495	0.145	2	122.1763	0.027	3	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	123.1410	0.000	1	123.1410	0.000	1	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	116.4690	0.000	1	119.9398	4.085	16	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	118.9320	0.000	1	119.9398	4.085	16	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	120.3165	2.494	2	119.9398	4.085	16	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	120.2502	1.920	12	119.9398	4.085	16	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[5]H)(H)	120.3515	2.821	2	120.3515	7.956	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C)(H)	120.1980	4.282	2	120.1980	18.338	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	120.3680	2.424	6	120.3680	5.876	6	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NIrC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(NIrC)(H)	119.8605	5.699	2	119.8605	32.474	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NNiC)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NNiC)(H)	120.3375	3.542	2	120.3375	12.545	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NOO)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NOO)(H)	119.4140	4.684	2	119.4140	21.939	2	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	121.9400	0.000	1	121.9400	0.000	1	120.4901	5.032	44	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	120.5487	2.263	4	120.5487	5.120	4	120.5487	5.120	4	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[6a]C[6a]2)(H)	120.1335	3.689	2	120.1335	13.609	2	120.1335	13.609	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCO)(H)	122.4950	0.000	2	121.0388	3.480	6	120.2881	4.418	8	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCO)(H)	120.3107	1.918	4	121.0388	3.480	6	120.2881	4.418	8	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-3:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCO)(H)	118.0360	0.000	2	118.0360	0.000	2	120.2881	4.418	8	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	122.2053	0.886	3	122.2053	0.784	3	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.9387	2.691	4	119.8816	4.340	24	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.4740	0.817	2	119.8816	4.340	24	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	120.0185	2.037	4	119.8816	4.340	24	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	119.9493	2.324	12	119.8816	4.340	24	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	118.4950	0.933	2	119.8816	4.340	24	120.1398	4.454	27	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NN[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	120.1455	2.681	2	120.1455	7.186	2	120.1455	7.186	2	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	120.6382	4.664	385	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNO)(OC)	119.9290	0.000	1	119.9290	0.000	1	119.2816	2.700	7	119.2816	2.700	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(COO)(OH)	117.6380	1.584	2	117.6380	2.509	2	119.2816	2.700	7	119.2816	2.700	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	118.4170	0.000	1	118.4170	0.000	1	119.2816	2.700	7	119.2816	2.700	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	121.0360	0.000	1	121.0360	0.000	1	119.2816	2.700	7	119.2816	2.700	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(OC)	120.1565	1.586	2	120.1565	2.516	2	119.2816	2.700	7	119.2816	2.700	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]N)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2){4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]N)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	121.2990	0.076	2	121.2990	0.006	2	121.2990	0.006	2	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.3360	0.250	2	120.3360	0.063	2	120.8660	0.355	5	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.3790	0.000	1	121.3790	0.000	1	120.8660	0.355	5	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.5760	0.000	1	121.5760	0.000	1	120.8660	0.355	5	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.7030	0.000	1	120.7030	0.000	1	120.8660	0.355	5	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	N(C[6a]C[6a]2)3	119.9810	0.000	1	119.9810	0.000	1	119.5005	0.462	2	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)3	119.0200	0.000	1	119.0200	0.000	1	119.5005	0.462	2	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)3	120.1845	0.187	2	120.1845	0.035	2	120.8817	1.476	3	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)3	122.2760	0.000	1	122.2760	0.000	1	120.8817	1.476	3	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)3	120.8657	0.320	3	120.8657	0.102	3	120.8657	0.102	3	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.6015	1.006	4	120.6015	1.011	4	120.6015	1.011	4	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	120.6535	0.924	2	120.6535	0.854	2	120.7233	0.442	3	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	120.8630	0.000	1	120.8630	0.000	1	120.7233	0.442	3	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	119.8443	0.155	4	119.8443	0.024	4	119.8190	0.248	10	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	119.8360	0.443	4	119.8360	0.196	4	119.8190	0.248	10	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	119.7345	1.247	2	119.7345	1.554	2	119.8190	0.248	10	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCO)2	114.3720	0.000	1	114.3720	0.000	1	119.1753	6.720	9	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	119.8135	0.329	2	119.8135	0.108	2	119.1753	6.720	9	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)2	119.6695	3.348	2	119.6695	11.210	2	119.1753	6.720	9	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[6]N)(CNN)	119.8100	2.342	4	119.8100	5.486	4	119.1753	6.720	9	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CNO)	119.5228	0.497	4	119.5228	0.247	4	119.5228	0.247	4	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.9570	1.336	2	120.9570	1.786	2	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)3	120.8670	0.014	2	120.3957	0.667	3	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	119.4530	0.000	1	120.3957	0.667	3	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)3	119.4830	0.000	1	119.4830	0.000	1	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.4500	0.000	1	119.4500	0.000	1	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)3	120.9750	0.182	3	120.9750	0.033	3	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	119.3252	0.761	8	119.5896	1.207	17	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	119.8247	1.332	9	119.5896	1.207	17	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	121.6916	0.850	28	121.6916	0.722	28	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	121.7543	0.135	3	121.7543	0.018	3	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	126.3497	0.892	6	126.3497	0.796	6	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)3	119.6880	0.776	2	118.7553	1.366	4	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|P<4>}	N(C[6a]C[6a]2)3	117.8225	0.122	2	118.7553	1.366	4	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)3	118.2293	0.415	6	118.2293	0.172	6	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	120.3331	1.312	8	120.3331	1.722	8	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.7897	1.326	4	120.5237	1.369	12	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.3906	1.157	8	120.5237	1.369	12	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	120.7210	2.387	2	120.7210	5.699	2	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)3	120.6075	0.932	4	120.7332	1.204	42	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)3	121.0730	2.025	2	120.7332	1.204	42	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)3	120.8801	0.979	16	120.7332	1.204	42	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.6291	1.062	16	120.7332	1.204	42	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)3	120.5175	1.856	4	120.7332	1.204	42	120.8282	3.147	138	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	120.8430	1.799	2	120.8430	3.236	2	120.2545	1.596	8	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NHP)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NHP)	119.8960	1.476	4	119.8960	2.180	4	120.2545	1.596	8	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	120.3830	0.399	2	120.3830	0.159	2	120.2545	1.596	8	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:P-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(PCC)	120.4425	0.834	4	120.4425	0.696	4	120.4425	0.696	4	120.6383	2.844	196	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	121.2355	0.366	2	121.2355	0.134	2	121.2355	0.134	2	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	119.7505	1.476	2	119.7505	2.178	2	120.0713	0.788	6	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	120.2318	0.696	4	120.2318	0.485	4	120.0713	0.788	6	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	119.7240	0.000	1	119.7240	0.000	1	120.2078	1.363	5	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	120.3287	1.311	4	120.3287	1.719	4	120.2078	1.363	5	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	115.9520	0.000	1	115.9520	0.000	1	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	118.6090	0.000	1	118.6090	0.000	1	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	120.9430	0.000	1	120.9430	0.000	1	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	118.6010	0.000	1	120.9000	3.970	3	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	121.9750	0.000	1	120.9000	3.970	3	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	122.1240	0.000	1	120.9000	3.970	3	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	122.6880	0.000	1	122.6880	0.000	1	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	120.3125	1.675	2	120.3637	1.203	4	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	120.4150	0.890	2	120.3637	1.203	4	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	120.0160	0.697	2	120.0160	0.486	2	120.1830	3.416	13	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCHH)	122.1000	0.000	1	122.1000	0.000	1	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CCHH)	120.4434	1.338	25	120.5621	1.515	31	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CCHH)	121.0567	0.359	6	120.5621	1.515	31	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CC[5a]HH)	121.9500	0.802	2	121.9500	0.643	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)2(CH3)	122.4360	0.000	1	122.4360	0.000	1	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.6845	0.826	4	119.6650	0.514	5	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.5870	0.000	1	119.6650	0.514	5	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1890	0.000	1	120.1890	0.000	1	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(CH3)	125.2155	0.112	2	125.2155	0.013	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.9690	0.000	1	119.9690	0.000	1	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	120.2455	0.738	2	120.2455	0.544	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	120.7835	1.545	8	120.7835	2.387	8	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.5975	0.466	2	120.5173	1.103	4	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.4370	1.751	2	120.5173	1.103	4	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CHHP)	120.6959	1.414	8	120.6959	1.998	8	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.2290	2.732	2	120.2538	0.825	20	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1680	0.588	2	120.2538	0.825	20	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.1426	0.619	16	120.2538	0.825	20	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[6a]HH)	119.6225	0.180	2	119.6225	0.033	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	119.6785	1.794	2	119.6785	3.218	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	118.7010	2.557	2	118.7010	6.538	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.2810	0.000	1	120.2810	0.000	1	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.3085	0.661	2	120.3085	0.437	2	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)2(CH3)	121.6060	1.561	2	122.2490	1.457	4	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<3>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)2(CH3)	122.8920	0.529	2	122.2490	1.457	4	120.6075	1.988	99	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(NH3)	120.2113	2.328	4	120.2113	5.421	4	120.2113	5.421	4	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PIrOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(PIrOO)	118.1536	0.672	7	118.1536	0.451	7	118.1733	0.325	11	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(PNiOO)	118.2078	0.421	4	118.2078	0.177	4	118.1733	0.325	11	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	120.3890	0.000	1	120.3890	0.000	1	120.8152	0.169	5	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C[6])(CC[6a]HH)	120.9295	0.581	2	120.9295	0.337	2	120.8152	0.169	5	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NCuC)(CH3)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCuC)(CH3)	120.9140	0.332	2	120.9140	0.110	2	120.8152	0.169	5	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5]-3:C-4:	C[6a](C[6a]C[6a]H)2(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	120.2690	1.594	2	120.2690	2.540	2	120.2690	2.540	2	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NN[5a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NN[5a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	120.6980	0.165	2	120.6980	0.027	2	120.6980	0.027	2	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(NN[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	120.6085	2.975	2	120.6085	8.849	2	120.6085	8.849	2	120.3605	2.264	151	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	118.8360	0.680	2	118.8360	0.463	2	118.8360	0.463	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	123.7770	0.276	2	123.7770	0.076	2	123.7770	0.076	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	122.0585	0.139	2	121.3668	5.335	5	121.3668	5.335	5	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	123.2390	0.000	1	121.3668	5.335	5	121.3668	5.335	5	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	117.3350	0.000	1	121.3668	5.335	5	121.3668	5.335	5	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	122.1430	0.000	1	121.3668	5.335	5	121.3668	5.335	5	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(CH3)(H)	123.3175	0.701	2	123.3175	0.491	2	123.7562	0.421	4	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6]HO)(H)	124.2300	0.000	1	124.2300	0.000	1	123.7562	0.421	4	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)	124.1600	0.000	1	124.1600	0.000	1	123.7562	0.421	4	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	120.9580	0.000	2	120.9580	0.000	2	121.1773	0.144	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NHS){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(H)	121.6160	0.000	1	121.6160	0.000	1	121.1773	0.144	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	120.6470	0.000	1	120.6470	0.000	1	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CHHP)(H)	122.5260	0.000	1	122.5260	0.000	1	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(H)	123.4360	0.000	2	123.4360	0.000	2	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(H)	123.1790	0.633	5	123.1790	0.400	5	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(H)	122.8480	0.000	2	122.8480	0.000	2	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	124.5735	0.471	4	124.3194	0.489	5	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)	123.3030	0.000	1	124.3194	0.489	5	123.3271	1.126	16	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]N)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	122.8800	0.000	1	122.8800	0.000	1	122.8800	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NHS){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	122.2920	0.000	1	122.2920	0.000	1	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	119.4850	0.000	1	118.8268	2.314	4	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	118.1340	0.000	1	118.8268	2.314	4	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	117.1080	0.000	1	118.8268	2.314	4	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	120.5800	0.000	1	118.8268	2.314	4	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	124.0710	0.453	2	124.0710	0.205	2	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHS){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	124.4210	0.519	2	124.4210	0.269	2	121.6203	8.348	9	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,5|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3180	0.000	2	120.3180	0.000	2	120.1033	0.138	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6740	0.000	1	119.6740	0.000	1	120.1033	0.138	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.5090	0.000	1	117.5090	0.000	1	118.7733	0.750	6	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.6200	0.124	3	119.0262	0.458	5	118.7733	0.750	6	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6355	0.752	2	119.0262	0.458	5	118.7733	0.750	6	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	121.6165	0.394	2	121.6165	0.155	2	120.3140	5.167	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	117.7090	0.000	1	117.7090	0.000	1	120.3140	5.167	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N)(Br){1|Br<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]H)(NCH){3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	124.2910	0.000	1	124.2910	0.000	1	123.9020	0.303	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	123.5130	0.000	1	123.5130	0.000	1	123.9020	0.303	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	126.3080	0.000	1	126.3080	0.000	1	122.6593	10.411	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.1820	0.000	1	120.1820	0.000	1	122.6593	10.411	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.4880	0.000	1	121.4880	0.000	1	122.6593	10.411	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Cl)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	122.2595	0.162	2	122.2595	0.026	2	122.2595	0.026	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6520	0.394	6	119.6520	0.155	6	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.1630	0.000	1	120.1630	0.000	1	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.9705	1.029	4	120.9227	0.638	10	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.2535	0.559	4	120.9227	0.638	10	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1655	0.200	2	120.9227	0.638	10	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(SO3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SO3)(H)	122.2030	0.000	1	122.2030	0.000	1	120.5281	0.919	18	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.8130	4.482	2	122.8248	12.975	8	122.8248	12.975	8	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|I<1>}	N(C[6a]C[6a]2)(CCHH)(H)	123.0245	6.242	2	122.8248	12.975	8	122.8248	12.975	8	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.7360	2.500	2	122.8248	12.975	8	122.8248	12.975	8	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]F)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.7255	5.041	2	122.8248	12.975	8	122.8248	12.975	8	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]F)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(SC[5a]OO)(H)	C[6a](C[6a]C[6a]F)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SC[5a]OO)(H)	121.8180	0.891	2	121.8180	0.794	2	121.8180	0.794	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HP)(H)	117.6000	0.000	1	117.6000	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.0470	0.000	1	121.0470	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	119.1110	0.000	1	119.1110	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.3040	0.000	1	120.3040	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.2900	0.000	1	122.2900	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.3290	0.000	1	122.3290	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|F<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.2390	0.000	1	119.3642	1.369	5	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.1345	0.134	2	119.3642	1.369	5	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	117.3810	0.000	1	119.3642	1.369	5	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(H)	119.9320	0.000	1	119.3642	1.369	5	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.5552	1.107	6	121.5552	1.225	6	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5a]2C)(H)	119.5040	0.000	1	119.5040	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	118.6200	0.000	1	120.4210	6.487	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	122.2220	0.000	1	120.4210	6.487	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.0560	1.316	3	119.0560	1.731	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.8140	0.000	1	121.8140	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHN)(H)	119.8020	0.000	1	119.8020	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHPP)(H)	121.3190	0.000	1	121.3190	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	119.1740	0.000	1	119.1740	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)(H)	121.7160	0.000	1	122.1245	0.334	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	122.5330	0.000	1	122.1245	0.334	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCCH)(H)	122.0630	0.000	1	122.0630	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	120.7530	0.000	1	120.7530	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC3)(H)	120.9060	1.748	2	120.9060	3.055	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	119.8750	0.000	1	119.8750	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.0180	0.000	1	122.7887	0.132	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(CCHH)(H)	122.9780	0.000	1	122.7887	0.132	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	122.3700	0.000	1	122.7887	0.132	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]HN)(H)	121.8320	0.000	1	121.8320	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.9635	0.893	2	120.6310	1.137	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.2985	0.911	2	120.6310	1.137	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.5100	0.000	1	122.9968	0.145	13	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.9541	0.363	12	122.9968	0.145	13	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.1930	0.000	1	122.8880	2.178	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	123.7355	0.217	2	122.8880	2.178	3	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.4760	0.000	1	122.4760	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(H)	125.5280	0.000	1	125.5280	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	123.9330	0.000	1	123.9330	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(H)	125.4920	0.000	1	125.4920	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	123.7922	0.150	4	123.7922	0.023	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	125.1410	0.000	1	125.1410	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	124.4130	0.091	2	124.4130	0.008	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	123.6025	0.607	2	123.6025	0.369	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)(H)	120.7670	0.000	1	120.7670	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CCCH)(H)	120.5620	0.000	1	120.5620	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCHH)(H)	116.0360	0.000	1	116.0360	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,1|S<2>}	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	122.5430	0.000	1	122.5430	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	122.8380	0.000	1	122.8380	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	117.7990	0.000	1	117.7990	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.0800	0.000	1	122.0800	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.2740	2.292	2	122.2740	5.255	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.7490	0.000	1	119.7490	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.9990	0.000	1	122.9990	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.3765	3.586	2	119.8148	4.942	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.2530	0.840	2	119.8148	4.942	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.2680	3.247	2	120.2680	10.543	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	122.4120	0.000	1	122.4120	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.0110	0.000	1	119.0110	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(H)	121.1005	2.937	2	121.0999	4.982	8	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.0468	2.209	4	121.0999	4.982	8	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.2055	3.402	2	121.0999	4.982	8	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.2720	0.000	1	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	122.8520	0.000	1	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.3470	0.000	1	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.7830	0.000	1	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	121.1460	2.263	4	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.7831	1.822	8	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	121.3100	3.506	2	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.1720	0.000	1	120.9945	3.515	19	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHP)(H)	121.1120	3.415	2	121.1120	11.664	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]CC)(H)	121.3185	4.631	2	121.3185	21.445	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	121.1240	3.726	2	120.8528	6.784	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	120.5815	2.484	2	120.8528	6.784	4	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6]HP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HP)(H)	120.1820	1.112	2	120.1820	1.236	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	120.9530	3.746	2	120.9530	14.034	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.9820	3.128	2	120.7662	5.072	38	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.0833	1.900	12	120.7662	5.072	38	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.5276	2.486	20	120.7662	5.072	38	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.8985	2.975	2	120.7662	5.072	38	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.9020	3.072	2	120.7662	5.072	38	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.9885	3.197	2	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.7175	2.037	2	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.2005	1.996	2	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.9943	1.986	12	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.5757	1.985	4	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	120.7583	1.773	4	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.4540	2.303	4	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.5130	0.878	2	121.0601	3.425	32	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	120.0760	0.000	1	120.0760	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)(H)	120.8849	2.338	8	120.8849	5.468	8	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.0100	0.000	1	120.0100	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	123.1380	0.000	1	123.1380	0.000	1	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	118.4290	3.125	2	118.4290	9.768	2	121.1835	4.377	212	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC3)(O)	121.6300	0.000	1	121.6300	0.000	1	120.0153	4.061	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(O)	120.6590	0.000	1	120.6590	0.000	1	120.0153	4.061	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(O)	117.7570	0.000	1	117.7570	0.000	1	120.0153	4.061	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	116.0670	0.000	1	116.0670	0.000	1	119.1000	12.729	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	118.2020	0.000	1	118.2020	0.000	1	119.1000	12.729	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	123.0310	0.000	1	123.0310	0.000	1	119.1000	12.729	3	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.0360	0.000	1	120.0360	0.000	1	120.9869	4.396	7	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.1453	2.250	6	121.1453	5.064	6	120.9869	4.396	7	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NH3)(H)	119.9550	3.359	2	119.8933	8.711	6	119.9776	7.866	10	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(NH3)(H)	120.1235	3.731	2	119.8933	8.711	6	119.9776	7.866	10	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NH3)(H)	119.6015	4.250	2	119.8933	8.711	6	119.9776	7.866	10	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-4:H-1:	C[6a](C[6a]C[6a]H)2(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(NRuHH)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NRuHH)(H)	120.1040	3.007	4	120.1040	9.045	4	119.9776	7.866	10	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	118.3677	0.674	3	118.3677	0.454	3	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	119.0067	0.743	8	119.0067	0.553	8	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	118.2610	0.000	1	118.2610	0.000	1	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PHNW)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PHNW)(H)	120.4575	1.655	2	120.4575	2.740	2	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PNNO)(H)	120.3490	1.870	6	120.3490	3.497	6	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PNNS)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PNNS)(H)	122.8410	0.000	1	122.8410	0.000	1	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PN[6]OO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PN[6]OO)(H)	120.4025	3.207	2	120.4025	10.283	2	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(PNOO)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PNOO)(H)	119.4835	2.483	2	119.4835	6.164	2	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]H)2(NHP)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	C[6a](C[6a]C[6a]H)2(NHP){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	122.2981	0.567	8	122.2981	0.321	8	120.2856	3.508	33	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[4]-4:H-1:	C[6a](C[6a]C[6a]H)2(NP[4]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	120.0885	1.766	4	120.0885	3.118	4	120.0885	3.118	4	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.8190	0.000	2	119.0673	0.185	3	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5640	0.000	1	119.0673	0.185	3	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.1600	0.000	1	119.1600	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1097	0.696	6	120.1097	0.484	6	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.6960	0.000	1	119.2670	0.652	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8380	0.000	1	119.2670	0.652	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.3800	0.000	1	122.3800	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.8040	0.000	1	120.8040	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3695	0.889	2	120.3695	0.790	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.1393	0.949	3	118.3098	0.716	4	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.8210	0.000	1	118.3098	0.716	4	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	118.9230	0.000	1	118.9230	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.7224	0.944	5	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4000	0.000	1	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2887	0.382	4	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.7820	1.200	8	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.6140	0.508	4	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4620	0.000	1	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2950	0.000	1	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.8146	0.888	7	119.4303	1.574	31	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4480	0.000	1	119.4480	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7410	0.000	1	121.1565	4.007	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	122.5720	0.000	1	121.1565	4.007	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.7020	0.119	2	121.7020	0.014	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	122.1770	0.000	1	122.1770	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1932	1.334	4	120.8951	0.940	14	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.9493	0.942	4	120.8951	0.940	14	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.3270	0.473	6	120.8951	0.940	14	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SO3)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SO3)(H)	119.9340	0.000	1	119.9340	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6310	0.000	1	119.9315	1.801	8	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9744	1.444	7	119.9315	1.801	8	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.2460	0.000	1	121.2460	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.9560	0.000	1	121.9560	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(H)	124.2670	0.000	1	124.2670	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.7877	2.520	3	121.7877	6.352	3	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.0360	0.000	1	120.0360	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.2865	2.375	2	119.7157	3.661	18	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6538	1.859	5	119.7157	3.661	18	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7803	2.162	10	119.7157	3.661	18	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2380	0.000	1	119.7157	3.661	18	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.5890	0.000	1	120.5890	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7530	0.000	1	119.5440	4.572	15	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4333	0.579	4	119.5440	4.572	15	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.1155	1.628	2	119.5440	4.572	15	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6804	2.680	8	119.5440	4.572	15	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.6700	0.000	1	121.6700	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.3710	0.000	1	119.0936	1.336	5	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	117.6800	0.000	1	119.0936	1.336	5	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	119.8310	1.438	2	119.0936	1.336	5	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	118.7550	0.000	1	119.0936	1.336	5	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.0490	2.613	2	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1446	1.391	5	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.4090	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.2440	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.1750	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.3860	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6315	1.151	8	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5565	0.596	2	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3334	2.044	8	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8385	1.447	2	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6360	1.711	10	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3323	1.316	4	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1020	0.805	6	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1610	4.592	2	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0536	1.991	12	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1908	1.633	12	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6398	2.738	6	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.4640	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.8015	0.393	4	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.3080	1.062	2	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.6120	0.000	1	120.0312	2.788	91	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SFOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SFOO)(H)	119.5210	0.944	4	119.5210	0.890	4	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SNOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SNOO)(H)	119.8033	2.517	6	119.8033	6.337	6	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.3780	0.000	1	120.3030	1.711	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.2280	0.000	1	120.3030	1.711	2	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	122.1370	0.000	1	122.1370	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)2(NHS)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.7630	0.000	1	121.7630	0.000	1	119.9834	2.699	233	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(NSiH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	120.7770	0.591	2	120.7770	0.349	2	120.7770	0.349	2	120.6726	4.286	602	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NC)	120.8230	1.233	2	120.8230	1.521	2	120.6697	0.916	4	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-2:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NTi)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NTi)	120.5165	1.064	2	120.5165	1.133	2	120.6697	0.916	4	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(OH)	121.4927	0.072	3	121.4927	0.005	3	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	118.7243	5.358	3	118.7243	28.708	3	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	122.8923	0.394	3	122.3160	0.918	6	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(OH)	121.7397	1.069	3	122.3160	0.918	6	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(OH)	119.7110	0.000	1	119.7110	0.000	1	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC3)(OH)	122.7230	0.000	1	122.7230	0.000	1	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	123.7190	0.000	1	123.7190	0.000	1	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC3)(OH)	123.0010	0.000	1	123.0010	0.000	1	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	117.8360	0.000	1	117.8360	0.000	1	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	119.6410	2.565	2	119.6410	6.581	2	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	120.2690	2.203	4	120.2690	4.854	4	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	120.5525	1.262	2	120.5525	1.593	2	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	120.3180	2.475	2	120.3180	6.125	2	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)2(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	120.6045	1.440	2	120.6045	2.075	2	120.8567	5.447	29	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-2:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(SS)	121.1319	0.630	8	121.1319	0.397	8	121.1319	0.397	8	120.8922	3.969	41	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCCH)(CNN)	122.1190	0.000	1	122.1190	0.000	1	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(CNO)	119.8120	0.000	1	119.8120	0.000	1	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.1590	0.000	1	120.1590	0.000	1	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.0830	0.000	1	120.0830	0.000	1	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9760	0.047	2	119.9760	0.002	2	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.0259	1.109	9	119.0259	1.230	9	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNN)	120.3120	0.610	2	120.3120	0.372	2	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.2180	1.183	4	120.1131	0.674	8	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	120.1020	0.522	2	120.1131	0.674	8	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.9145	0.357	2	120.1131	0.674	8	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHS)(CHS)	121.0035	0.180	2	121.0035	0.033	2	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)(CNO)	119.1095	0.018	2	119.1095	0.000	2	119.8315	1.112	29	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	116.8775	0.564	2	116.8775	0.318	2	119.8490	4.976	8	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NCC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NCC)	120.9295	1.898	4	120.9295	3.603	4	119.8490	4.976	8	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]H)2(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(NCH)	120.6595	0.243	2	120.6595	0.059	2	119.8490	4.976	8	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	118.3500	0.000	1	118.3500	0.000	1	119.7414	4.526	7	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	119.7610	4.920	2	119.7610	24.207	2	119.7414	4.526	7	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	120.3375	0.173	2	120.3375	0.030	2	119.7414	4.526	7	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	119.8215	0.511	2	119.8215	0.261	2	119.7414	4.526	7	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:3:	N-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[3x6]-4:C[6a]-3:	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	120.4755	2.336	2	120.4755	5.455	2	120.4755	5.455	2	119.9047	2.223	48	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	121.5100	0.000	1	121.5100	0.000	1	121.8402	1.967	4	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	120.1450	0.000	1	120.1450	0.000	1	121.8402	1.967	4	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CH3)2	122.8530	0.931	2	122.8530	0.866	2	121.8402	1.967	4	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]N)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[6,6,6a]C[6a])(CH3)2	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6,6a]C[6a])(CH3)2	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	119.2270	0.000	1	119.2320	0.000	2	119.2320	0.000	2	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(SC[6a]OO)(CH3)	119.2370	0.000	1	119.2320	0.000	2	119.2320	0.000	2	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a,6a]N)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a,6a]N)(H){1|C<4>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]H)(NCS){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(H){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)2(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)2(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.1920	0.000	1	122.1920	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	122.4005	1.170	2	122.4005	1.370	2	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CH3)	122.7680	0.000	1	122.7680	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.3717	1.521	3	120.7206	2.455	8	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6250	0.496	2	120.7206	2.455	8	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.8830	0.000	1	120.7206	2.455	8	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.7585	0.035	2	120.7206	2.455	8	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.6310	1.427	2	122.6310	2.036	2	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.6710	0.000	1	119.6710	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CCCH)(CCHH)	122.0760	0.000	1	122.0760	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5]HH)(CH3)	121.7130	0.000	1	121.7130	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2	122.9200	0.523	2	122.9200	0.274	2	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	124.4690	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6530	0.514	3	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.9360	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.8680	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.6779	0.912	46	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.9006	0.417	32	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.6310	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	125.8660	2.803	23	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	124.3326	2.296	5	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|In<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.1240	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Sb<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.0240	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Se<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.2950	0.000	1	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.0655	0.439	2	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.1466	0.600	23	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(H){3|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	122.9617	0.231	4	122.1948	5.478	145	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)(H){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	121.3300	0.000	1	121.3300	0.000	1	122.1191	5.094	165	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9815	0.589	2	120.9815	0.347	2	120.9815	0.347	2	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	123.0970	0.000	1	121.7065	3.867	2	122.1498	1.323	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.3160	0.000	1	121.7065	3.867	2	122.1498	1.323	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	122.1420	0.467	2	122.1420	0.218	2	122.1498	1.323	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]Si[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	N(C[6a]C[6a]2)(CCHH)2	123.0520	0.000	1	123.0520	0.000	1	122.1498	1.323	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(F){1|F<1>,1|N<2>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	126.4300	0.000	1	126.4300	0.000	1	126.4300	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.3680	0.000	1	121.4290	1.763	2	121.0970	1.212	3	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.4900	0.000	1	121.4290	1.763	2	121.0970	1.212	3	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHN)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CHHN)2	120.4330	0.000	1	120.4330	0.000	1	121.0970	1.212	3	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	125.0240	0.000	1	125.0240	0.000	1	122.3287	2.701	6	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.7896	1.094	5	121.7896	1.197	5	122.3287	2.701	6	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	120.0910	0.000	1	120.6673	0.519	3	123.1310	11.734	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.9555	0.735	2	120.6673	0.519	3	123.1310	11.734	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(Cl){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	126.8265	0.614	2	126.8265	0.378	2	123.1310	11.734	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NCC){1|C<3>,1|F<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]N)(F){1|C<3>,1|F<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	118.5390	0.000	1	118.5390	0.000	1	121.4318	10.751	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	120.6810	0.000	1	120.6810	0.000	1	121.4318	10.751	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(F){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.9830	0.000	1	122.9830	0.000	1	121.4318	10.751	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(F){1|F<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.4780	5.429	2	122.4780	29.476	2	121.4318	10.751	5	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.5380	0.598	2	120.5380	0.358	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.4350	0.561	2	120.5447	0.194	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.7640	0.000	1	120.5447	0.194	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CH3)2	121.7350	0.000	1	121.7350	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|P<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.7900	0.000	1	119.7900	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.6463	0.929	3	119.6463	0.862	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.0800	0.270	2	120.0800	0.073	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2650	0.000	1	121.2650	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	121.3610	0.000	1	121.3610	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.6140	0.000	1	121.8280	0.584	11	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2510	0.000	1	121.8280	0.584	11	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.0270	0.678	9	121.8280	0.584	11	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Al<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.5260	2.083	2	121.5260	4.339	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.6205	0.299	2	120.6205	0.089	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|B<3>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.3715	0.118	2	121.3715	0.014	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.1686	0.608	5	122.1686	0.369	5	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	122.5440	0.000	1	122.5440	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|N<3>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.1120	0.000	1	122.1120	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.1650	0.127	2	122.1650	0.016	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.4660	0.000	1	121.4660	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	116.2550	0.000	1	116.2550	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	116.3800	0.000	1	116.3800	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	117.4590	0.000	1	117.4590	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	116.9530	0.000	1	117.3179	0.185	7	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.5460	0.000	1	117.3179	0.185	7	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.5603	0.464	3	117.3179	0.185	7	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	117.0225	0.383	2	117.3179	0.185	7	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	117.6430	0.379	2	117.6430	0.144	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	123.0850	0.187	2	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.7480	1.344	4	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	121.2960	0.000	1	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CH3)2	120.2260	0.000	1	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)2	122.2160	0.000	1	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	123.5880	0.000	1	122.0488	1.583	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	119.1635	2.893	2	119.1635	8.368	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	120.8150	0.000	1	121.3835	0.646	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(CHHS)2	121.9520	0.000	1	121.3835	0.646	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.7100	0.000	1	122.7100	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	124.2130	0.000	1	123.1930	0.851	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.6830	0.376	2	123.1930	0.851	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|I<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	122.6720	0.000	1	122.6720	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	120.0785	0.254	2	120.0785	0.064	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)2	125.1490	0.000	1	125.1490	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.3972	0.580	4	123.0185	2.620	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.3300	0.000	1	123.0185	2.620	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	126.1920	0.000	1	123.0185	2.620	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)2	121.7470	0.000	1	121.7470	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	123.1640	0.000	1	123.1640	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	122.4290	1.055	2	122.4290	1.113	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.7220	0.000	1	122.0550	0.222	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.3880	0.000	1	122.0550	0.222	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]N)2(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(H){1|C<3>,2|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.1347	0.367	3	121.1347	0.135	3	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	121.8400	0.000	1	121.8400	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	118.6040	0.044	2	118.6040	0.002	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	123.5430	0.701	8	123.5430	0.491	8	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	122.6090	0.000	1	122.6090	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CC[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(CC[6]HH)2	122.6430	0.000	1	122.6430	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	122.2000	0.607	4	121.8993	1.262	26	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)2	121.8446	1.196	22	121.8993	1.262	26	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	121.9000	0.000	1	121.9000	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)2	123.5330	0.296	2	123.5330	0.087	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.1350	0.107	2	121.2188	0.044	5	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.2747	0.266	3	121.2188	0.044	5	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	118.4610	0.000	1	118.4610	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)2	118.1505	0.316	2	118.1505	0.100	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	121.6030	2.881	4	121.6030	8.302	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	121.6600	1.265	4	121.6600	1.601	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.9070	1.136	2	121.8325	0.510	8	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(CH3)	122.0375	0.326	4	121.8325	0.510	8	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(CH3)	121.3480	1.146	2	121.8325	0.510	8	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)2	121.4085	2.689	2	121.5034	2.325	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.6995	3.386	2	121.5034	2.325	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	121.8533	0.308	4	121.5034	2.325	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)2	121.7025	0.255	2	121.5034	2.325	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	121.7745	0.062	2	121.7115	0.382	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	121.6485	1.061	2	121.7115	0.382	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5]HH)2	120.5365	3.158	4	120.5365	9.970	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]CC)(CCHH)	120.8445	2.071	2	120.8445	4.290	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	121.6390	1.816	2	121.4425	1.765	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CH3)	121.2460	1.358	2	121.4425	1.765	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	121.3295	1.108	2	121.3295	1.228	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	121.0905	3.384	2	121.0905	11.448	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)2	120.9390	4.964	2	121.4488	8.560	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	121.9585	0.018	2	121.4488	8.560	4	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.2713	0.087	3	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4573	0.912	47	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(CH3)2	121.8135	0.052	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.4827	0.564	22	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(CH3)2	121.6735	0.245	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(CH3)2	121.3975	0.159	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0810	0.549	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.4235	0.641	44	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.7380	0.140	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.6465	0.460	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4095	1.773	4	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.4260	1.684	2	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.1803	0.133	3	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.2450	0.000	1	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5730	0.000	1	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.3260	0.000	1	121.4531	0.559	140	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.3030	1.375	2	121.7260	0.892	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.9635	1.191	2	121.7260	0.892	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHO)2	121.9115	0.781	2	121.7260	0.892	6	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)2	120.8615	1.076	2	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)2	121.4060	0.317	2	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	121.1187	2.132	21	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)2	121.0518	1.629	47	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHP)2	121.2205	0.531	2	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	122.6250	0.000	1	121.1004	2.936	75	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	121.4077	0.725	8	121.2645	1.131	15	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	121.0515	0.747	2	121.2645	1.131	15	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHS)2	121.1440	3.185	2	121.2645	1.131	15	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CHHS)2	121.5030	0.000	1	121.2645	1.131	15	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHS)2	120.9060	0.925	2	121.2645	1.131	15	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]HH)2	120.8895	3.358	2	120.8399	4.420	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CN[5]HH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CN[5]HH)2	120.8275	2.018	8	120.8399	4.420	10	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.4585	0.214	2	120.4585	0.046	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	122.0940	0.000	1	122.0940	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	121.5950	0.000	1	121.1555	0.386	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Pd<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.7160	0.000	1	121.1555	0.386	2	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Rh<8>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	119.0360	0.000	1	119.0360	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(NCC)	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(NCC){1|Si<4>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]Si[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,3|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.7980	0.000	1	122.7980	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	122.0920	0.000	1	122.0920	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.3130	0.000	1	119.3130	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CRuHH)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Si<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CRuHH)(CH3)	120.7380	0.000	1	120.7380	0.000	1	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Sn<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.8589	1.159	8	121.8589	1.342	8	121.3447	2.284	452	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	120.7750	0.000	1	120.7750	0.000	1	120.0233	1.417	8	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	120.2300	0.000	1	120.2300	0.000	1	120.0233	1.417	8	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NCS){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	121.0820	0.593	2	121.0820	0.351	2	120.0233	1.417	8	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	119.8910	1.571	2	119.8910	2.469	2	120.0233	1.417	8	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NCS){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	118.6175	0.514	2	118.6175	0.264	2	120.0233	1.417	8	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	123.0955	0.433	2	122.0237	0.964	6	121.6729	1.340	10	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	121.4878	0.629	4	122.0237	0.964	6	121.6729	1.340	10	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	121.2775	1.375	2	121.1467	1.797	4	121.6729	1.340	10	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)	121.0160	1.853	2	121.1467	1.797	4	121.6729	1.340	10	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C-4:	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	121.6673	0.829	6	121.6673	0.687	6	121.6673	0.687	6	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(InCoNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(InCoNN)(CHHP)	124.7097	0.385	3	124.7097	0.148	3	124.4886	0.291	12	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(InNiNN)(CHHP)	124.4149	0.582	9	124.4149	0.339	9	124.4886	0.291	12	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(H){3|C<3>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]N)(H){1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.2480	0.000	1	119.2480	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	115.8770	0.000	1	115.8770	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CC3)	118.5755	0.136	2	118.5755	0.019	2	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>}	N(C[6a]C[6a]2)(SCOO)(CH3)	119.6280	0.000	1	119.6280	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	120.5420	0.000	1	120.5420	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.7680	0.381	4	120.6850	0.417	12	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.6435	0.767	8	120.6850	0.417	12	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	121.2240	0.000	1	121.2240	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	115.1870	0.000	1	115.1870	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.0040	0.000	1	120.0040	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|I<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	121.6140	0.000	1	121.6140	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	121.0920	0.000	1	121.0920	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>}	N(C[6a]C[6a]2)(SCOO)(CH3)	119.7020	0.000	1	119.7020	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.8835	0.319	2	118.8835	0.102	2	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.3390	0.000	1	118.3390	0.000	1	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.2940	0.000	1	120.2866	1.753	7	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.0205	1.661	2	120.2866	1.753	7	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.2635	1.430	2	120.2866	1.753	7	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.5720	2.325	2	120.2866	1.753	7	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)2(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	119.9655	1.257	2	119.9655	1.579	2	119.9314	2.249	36	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(SC[6a]OO)	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H)	N(C[6a]C[6a]N[6a])(CCHH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CCHH)2	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	121.5200	3.400	731	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	3:5:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-5:N-3:	C[6a](C[6a]C[6a]H)2(NNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6a]C[6a]2)(PC[6a]2LiN)(NC[6a]Li)	C[6a](C[6a]C[6a]H)2(NNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2LiN)(NC[6a]Li)	120.5780	0.488	2	120.5780	0.238	2	120.5780	0.238	2	120.5780	0.238	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H)	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	119.8850	0.000	1	119.9870	0.021	2	119.9870	0.021	2	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.0890	0.000	1	119.9870	0.021	2	119.9870	0.021	2	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(F){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	118.9150	0.000	1	118.9150	0.000	1	118.9150	0.000	1	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NB[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	121.3740	2.649	2	121.3740	7.016	2	121.3740	7.016	2	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	121.6970	0.000	1	121.6970	0.000	1	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	116.7900	0.000	1	116.7900	0.000	1	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	120.6210	2.274	2	120.6210	5.171	2	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6,6]C[6a]C)(C[6a]C[6a]2)(H)	120.6395	3.903	2	120.6395	15.230	2	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[4]H)(C[6a]C[6a]2)(H)	120.6380	2.897	4	120.6380	8.392	4	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	120.8290	2.481	2	120.8290	6.153	2	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	121.3115	2.147	2	120.9129	2.832	8	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	120.8305	2.610	2	120.9129	2.832	8	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(CC[6a]C[6]H)(C[6a]C[6a]2)(H)	120.7548	1.630	4	120.9129	2.832	8	120.6261	4.640	20	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]2)(H)	120.6702	2.028	8	120.6702	4.113	8	120.6702	4.113	8	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.2100	0.000	1	123.1130	0.019	2	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){2|Cl<1>,1|C<3>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	123.0160	0.000	1	123.1130	0.019	2	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[5]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|N<2>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	124.4520	0.000	1	124.4520	0.000	1	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	118.5640	0.000	1	118.5640	0.000	1	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)	120.9735	3.569	2	120.9735	12.736	2	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)	121.4425	3.313	2	121.4425	10.975	2	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	121.1207	3.071	6	121.3107	9.425	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	121.5957	3.518	4	121.3107	9.425	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	122.7030	0.000	1	122.7030	0.000	1	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)	120.0850	3.282	2	120.0850	10.774	2	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.8375	3.235	2	120.7812	6.333	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.7725	3.016	2	120.7812	6.333	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.9195	3.746	2	120.7812	6.333	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.7385	2.883	2	120.7812	6.333	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(H)	120.6380	3.874	2	120.7812	6.333	10	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	120.6172	0.669	4	120.6172	0.448	4	121.1524	6.195	35	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6,6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6,6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	121.2088	2.478	4	121.2088	6.140	4	121.2088	6.140	4	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	122.2570	0.000	1	122.2570	0.000	1	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	124.8090	0.000	1	124.8090	0.000	1	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	121.7460	0.000	1	121.7460	0.000	1	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	120.8190	3.439	2	120.8190	11.829	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	120.8300	3.780	2	120.8300	14.290	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	120.7770	2.725	2	120.7770	7.427	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	121.1005	2.802	2	121.1005	7.853	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	121.1230	2.721	2	121.0547	6.145	4	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	120.9865	3.318	2	121.0547	6.145	4	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	121.1200	2.444	2	121.1200	5.972	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	120.1550	3.963	2	120.1550	15.702	2	121.1913	5.509	19	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H)	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	121.0180	0.000	1	121.0180	0.000	1	121.0180	0.000	1	120.9293	5.133	93	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Br-1:	C[6]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]Br)2(NC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]Br)2(NC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	121.9045	6.095	2	121.9045	37.144	2	121.9045	37.144	2	120.2171	9.896	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(NC[5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	119.9875	5.008	2	119.9875	25.084	2	119.9875	25.084	2	120.2171	9.896	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(NC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	120.0400	2.478	4	120.0400	6.142	4	120.0400	6.142	4	120.2171	9.896	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	119.1135	0.230	2	119.1135	0.053	2	119.1135	0.053	2	120.2171	9.896	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	120.5585	2.935	2	120.5585	8.615	2	120.5585	8.615	2	119.4020	4.754	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	118.2455	0.545	2	118.2455	0.297	2	118.2455	0.297	2	119.4020	4.754	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	122.9880	0.000	1	122.9880	0.000	1	123.1715	0.067	2	121.4295	4.625	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	123.3550	0.000	1	123.3550	0.000	1	123.1715	0.067	2	121.4295	4.625	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)2(NC[5,6]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5,6]S){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	N(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(SC[6a]OO)	119.6875	1.292	2	119.6875	1.669	2	119.6875	1.669	2	121.4295	4.625	4	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6,6a]N)(C[6a]N[6a]N)(CN){1|C<3>,1|C<4>}	N(C[6a]C[6,6a]C[6a])(H)2	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NHH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.3515	0.460	2	122.3515	0.212	2	122.3515	0.212	2	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|S<4>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.3270	0.000	1	119.3270	0.000	1	119.3270	0.000	1	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NHH){3|C<3>}	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.4900	0.000	1	120.4900	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5450	0.000	1	120.5450	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.6630	0.000	1	122.6630	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.9390	0.000	1	119.9390	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.6380	0.000	1	120.6380	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	122.5360	0.000	1	121.9700	0.641	2	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4040	0.000	1	121.9700	0.641	2	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.8350	0.000	1	121.8350	0.000	1	121.2562	1.026	8	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	119.3720	0.000	1	119.3720	0.000	1	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.1480	0.000	1	120.0613	0.966	8	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.1630	0.000	1	120.0613	0.966	8	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.0298	0.977	6	120.0613	0.966	8	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.5180	0.000	1	118.5180	0.000	1	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.3655	0.037	2	120.3655	0.001	2	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6460	0.000	1	121.6460	0.000	1	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NC){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.4450	0.000	1	120.4450	0.000	1	120.0859	0.958	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	116.7420	0.000	1	116.7420	0.000	1	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.5060	0.023	2	119.5060	0.001	2	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	119.0570	0.000	1	119.4270	0.106	3	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	119.6120	0.085	2	119.4270	0.106	3	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.7190	0.000	1	120.3925	3.519	2	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.0660	0.000	1	120.3925	3.519	2	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.8480	0.000	1	119.2270	0.117	4	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.3533	0.282	3	119.2270	0.117	4	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.8320	0.013	2	119.8320	0.000	2	119.3851	1.049	14	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1945	0.114	2	121.1945	0.013	2	121.4439	0.202	7	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4185	0.011	2	121.4185	0.000	2	121.4439	0.202	7	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.3200	0.000	1	122.3200	0.000	1	121.4439	0.202	7	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SP[4]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6350	0.000	1	121.6350	0.000	1	121.4439	0.202	7	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9260	0.000	1	120.9260	0.000	1	121.4439	0.202	7	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.1490	0.000	1	123.1490	0.000	1	123.1490	0.000	1	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:1:1:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:H-1:H-1:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN)	N(C[6a]N[5a,6a]C[6a])(H)2	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	N(C[6a]N[5a,6a]C[6a])(H)2	122.6860	0.000	1	122.6860	0.000	1	122.6860	0.000	1	120.5060	1.809	50	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	119.6980	0.612	30	119.6980	0.375	30	119.6980	0.375	30	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	118.1630	0.000	1	118.1630	0.000	1	119.2965	4.359	10	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	120.1200	0.000	1	120.1200	0.000	1	119.2965	4.359	10	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]N)2(OC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.3353	2.307	8	119.3353	5.322	8	119.2965	4.359	10	119.5105	1.457	42	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a])	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	117.9880	0.168	2	117.9880	0.028	2	117.9880	0.028	2	118.1972	22.436	17	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	117.3980	0.132	3	117.3980	0.018	3	114.4784	5.221	9	118.1972	22.436	17	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	113.0187	0.822	6	113.0187	0.675	6	114.4784	5.221	9	118.1972	22.436	17	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	123.8450	0.498	6	123.8450	0.248	6	123.8450	0.248	6	118.1972	22.436	17	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	117.4912	9.611	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	113.7645	0.021	2	113.7645	0.000	2	115.7843	12.239	3	117.4912	9.611	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8240	0.000	1	119.8240	0.000	1	115.7843	12.239	3	117.4912	9.611	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	120.2010	0.250	2	120.2010	0.063	2	120.2010	0.063	2	117.4912	9.611	6	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8240	0.000	1	119.4890	0.224	2	119.4890	0.224	2	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(NHS){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.1540	0.000	1	119.4890	0.224	2	119.4890	0.224	2	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHPP)(H)	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.5405	0.465	4	120.5405	0.216	4	120.5405	0.216	4	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.4850	1.247	2	121.4850	1.556	2	120.2310	5.495	3	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.7230	0.000	1	117.7230	0.000	1	120.2310	5.495	3	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]HN)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HN)(H)	123.9465	4.378	2	123.9465	19.164	2	123.9465	19.164	2	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	114.8330	0.000	1	114.8330	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	116.2720	0.000	1	116.2720	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	116.6380	0.000	1	116.6380	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.1485	0.509	4	118.1485	0.259	4	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	117.0620	0.000	1	117.0620	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	117.9810	0.000	1	117.9810	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	118.2570	0.141	2	118.2570	0.020	2	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	116.8890	0.000	1	116.8890	0.000	1	117.3986	1.242	12	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8150	0.000	1	117.8150	0.000	1	118.2708	2.572	5	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(H)	116.6730	0.000	1	116.6730	0.000	1	118.2708	2.572	5	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9553	1.750	3	118.9553	3.061	3	118.2708	2.572	5	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.7620	0.000	1	120.7620	0.000	1	121.1780	3.110	4	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[5]C[6]H)(H)	120.2190	0.000	1	120.2190	0.000	1	121.1780	3.110	4	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]3)(H)	119.9560	0.000	1	119.9560	0.000	1	121.1780	3.110	4	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	123.7750	0.000	1	123.7750	0.000	1	121.1780	3.110	4	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	125.3100	2.475	3	125.3100	6.123	3	125.3100	6.123	3	119.7540	8.180	37	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	117.9570	0.000	1	117.9570	0.000	1	117.3670	0.696	2	117.3670	0.696	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	116.7770	0.000	1	116.7770	0.000	1	117.3670	0.696	2	117.3670	0.696	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	120.0355	0.274	2	120.0355	0.075	2	119.7554	0.359	5	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.1450	0.156	2	119.1450	0.024	2	119.7554	0.359	5	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN)	N(C[6a]C[6a]2)(CCCH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CH3)	120.4160	0.000	1	120.4160	0.000	1	119.7554	0.359	5	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	121.6900	0.000	1	121.6900	0.000	1	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHP)2	117.4850	2.199	3	117.4850	4.833	3	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NCC){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)2	114.5325	0.825	2	114.5325	0.681	2	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	119.2102	0.906	5	119.2102	0.820	5	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[4]HH)(CC[6]HH)	122.6200	0.000	1	122.6200	0.000	1	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	119.4720	0.000	1	119.4720	0.000	1	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OGe){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	114.5113	0.225	3	114.5113	0.051	3	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CC[6]HH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6]HH)2	119.1870	0.000	1	119.1870	0.000	1	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHP)2	122.1950	1.310	2	122.1950	1.715	2	118.3402	8.648	19	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(SC[6a]OO)	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	121.2295	0.251	2	121.2295	0.063	2	121.3090	0.050	3	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SCOO)(CH3)	121.4680	0.000	1	121.4680	0.000	1	121.3090	0.050	3	119.2303	7.476	30	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(COO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(COO){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	121.3390	0.000	1	121.3390	0.000	1	121.8970	0.623	2	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]O)(COO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.4550	0.000	1	122.4550	0.000	1	121.8970	0.623	2	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	123.5350	0.000	1	123.5350	0.000	1	122.7630	0.469	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|I<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.5250	0.000	1	122.5250	0.000	1	122.7630	0.469	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.2290	0.000	1	122.2290	0.000	1	122.7630	0.469	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)2	121.1500	0.000	1	121.4133	0.076	3	121.4133	0.076	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(H)2	121.5450	0.221	2	121.4133	0.076	3	121.4133	0.076	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	122.2580	0.272	2	122.2580	0.074	2	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.0630	0.000	1	123.0630	0.000	1	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.5205	1.669	2	122.5205	2.787	2	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.5050	0.000	1	122.5050	0.000	1	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.4442	0.545	4	121.4442	0.297	4	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|H<1>,1|I<1>}	N(C[6a]C[6a]2)(H)2	121.7800	0.000	1	122.9771	1.049	9	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9964	0.986	7	122.9771	1.049	9	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.0390	0.000	1	122.9771	1.049	9	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.1210	0.195	4	123.0736	0.333	14	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	123.2670	0.000	1	123.0736	0.333	14	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9206	0.684	8	123.0736	0.333	14	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	123.9150	0.000	1	123.0736	0.333	14	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	124.7490	0.220	3	124.7490	0.048	3	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){2|Cl<1>,1|C<3>}	N(C[6a]C[6a]2)(H)2	121.7940	0.000	1	121.7940	0.000	1	122.8856	1.064	37	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	N(C[6a]C[6a]2)(H)2	122.2430	0.000	1	122.2430	0.000	1	122.2430	0.000	1	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	120.7200	0.000	1	120.7200	0.000	1	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.9400	0.000	1	120.9400	0.000	1	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.6410	0.000	1	120.6410	0.000	1	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	121.7520	0.000	1	121.3517	0.165	3	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	121.1515	0.298	2	121.3517	0.165	3	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(NHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.2855	1.343	2	120.2855	1.803	2	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	N(C[6a]C[6a]2)(H)2	118.8530	0.000	1	118.8530	0.000	1	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	120.4230	0.000	1	120.4230	0.000	1	120.6203	0.804	10	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[6a]2)(H)2	118.4495	0.093	2	118.4495	0.009	2	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	118.8400	0.000	1	118.8400	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[6a]2)(H)2	119.2690	0.000	1	119.2690	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|C<2>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	123.0930	0.000	1	123.0930	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	117.8330	0.000	1	117.8330	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	125.1710	0.000	1	125.1710	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.7170	0.000	1	118.7170	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.5640	0.000	1	120.8855	0.755	15	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.6720	0.000	1	120.8855	0.755	15	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0355	0.754	11	120.8855	0.755	15	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8010	0.000	1	120.8855	0.755	15	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.8550	0.000	1	120.8855	0.755	15	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.9950	0.000	1	118.9950	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	121.1320	0.625	2	121.1320	0.391	2	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8960	0.000	1	119.8960	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.9550	0.000	1	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6195	0.333	2	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	120.1910	0.000	1	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	119.8080	0.488	3	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9620	0.000	1	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.5187	0.725	12	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.2900	0.000	1	119.5850	0.545	21	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.9250	0.000	1	120.9250	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	N(C[6a]C[6a]2)(H)2	125.7950	0.000	1	125.7950	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	118.4130	0.000	1	118.4130	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)(H)2	117.9260	0.000	1	117.9260	0.000	1	120.1655	2.549	52	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N(C[6a]C[6a]2)(H)2	120.6710	0.000	1	121.8317	1.088	3	121.8317	1.088	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.1330	0.000	1	121.8317	1.088	3	121.8317	1.088	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.6910	0.000	1	121.8317	1.088	3	121.8317	1.088	3	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(H)2	122.0048	0.024	5	122.0048	0.001	5	122.0048	0.001	5	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(NHH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(H)2	120.5115	0.202	2	120.5115	0.041	2	120.5115	0.041	2	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(H)2	120.4830	0.000	1	120.4830	0.000	1	121.0335	0.606	2	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	121.5840	0.000	1	121.5840	0.000	1	121.0335	0.606	2	121.3517	3.012	122	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(NC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC)(H)	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.7326	0.904	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:As-2:H-1:	C[6a](C[6a]C[6a]2)2(NAsH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(AsC)(H)	C[6a](C[6a]C[6a]2)2(NAsH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(AsC)(H)	120.0935	1.331	2	120.0935	1.773	2	120.0935	1.773	2	119.7326	0.904	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(NN)(H)	C[6a](C[6a]C[6a]2)2(NHN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(NN)(H)	119.3715	1.150	2	119.3715	1.324	2	119.3715	1.324	2	119.7326	0.904	5	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.1330	0.291	2	118.1330	0.085	2	118.1330	0.085	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]C)(CCN){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.9210	0.000	1	120.9210	0.000	1	121.4030	0.465	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)(CNO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	121.8850	0.000	1	121.8850	0.000	1	121.4030	0.465	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CNO)(H)	122.0990	0.000	1	122.0990	0.000	1	122.0990	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CNS)(H)	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	117.5010	0.000	1	117.5010	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.2970	0.000	1	120.2970	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	121.5790	0.000	1	121.5790	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	122.6180	0.000	1	122.6180	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.8330	0.000	1	123.8330	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.6950	0.000	1	119.6950	0.000	1	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.1354	0.999	5	121.2660	0.901	6	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	121.9190	0.000	1	121.2660	0.901	6	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.7255	1.590	2	119.7255	2.529	2	120.8979	2.768	14	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3520	0.000	1	120.3520	0.000	1	122.1116	0.507	13	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CNS)(H)	122.2582	0.498	12	122.2582	0.248	12	122.1116	0.507	13	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]2)2(NHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PCl2)(H)	C[6a](C[6a]C[6a]2)2(NHP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(PCl2)(H)	119.1205	2.068	2	119.1205	4.278	2	119.1205	4.278	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)(H)	116.9060	0.000	1	116.9060	0.000	1	119.1403	9.972	3	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	122.7530	0.000	1	122.7530	0.000	1	119.1403	9.972	3	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	117.7620	0.000	1	117.7620	0.000	1	119.1403	9.972	3	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)2(H)	117.0290	0.000	1	117.0290	0.000	1	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	121.5830	0.000	1	121.5830	0.000	1	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	123.7595	0.672	2	123.7595	0.452	2	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	119.8760	0.000	1	119.8760	0.000	1	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	117.2947	0.766	3	117.2947	0.587	3	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.1010	0.000	1	119.1010	0.000	1	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|H<1>,1|S<4>}	N(C[6a]C[6a]2)2(H)	117.7000	0.000	1	117.7000	0.000	1	119.4692	7.387	10	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(NCH)(H)	122.9450	0.000	1	122.7660	0.064	2	122.7660	0.064	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	122.5870	0.000	1	122.7660	0.064	2	122.7660	0.064	2	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(N[5]C[5]2)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)2(H)	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	117.5830	0.000	1	117.5830	0.000	1	117.5830	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe2)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SFe2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(CCO)(H)	123.0040	0.000	1	123.0040	0.000	1	123.0040	0.000	1	120.7013	4.603	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)3	121.3500	0.000	1	121.3500	0.000	1	121.3500	0.000	1	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CNO)	118.7392	0.414	4	118.7392	0.171	4	118.7392	0.171	4	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.2050	0.671	4	120.2050	0.451	4	120.6660	1.020	9	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.7460	0.458	3	120.7460	0.210	3	120.6660	1.020	9	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	122.9230	0.000	1	122.9230	0.000	1	120.6660	1.020	9	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.0130	0.000	1	120.0130	0.000	1	120.6660	1.020	9	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|B<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)3	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.1447	1.219	9	120.1447	1.487	9	118.4339	2.180	27	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	117.8984	0.436	7	117.8984	0.190	7	118.4339	2.180	27	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	117.3750	0.545	11	117.3750	0.297	11	118.4339	2.180	27	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	120.9670	0.840	2	120.9670	0.706	2	120.9670	0.706	2	119.1555	2.692	44	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.8280	0.000	1	116.8280	0.000	1	118.5772	4.689	4	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6,6]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	121.0710	0.000	1	121.0710	0.000	1	118.5772	4.689	4	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	119.7070	0.000	1	119.7070	0.000	1	118.5772	4.689	4	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	116.7030	0.000	1	116.7030	0.000	1	118.5772	4.689	4	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	119.1388	0.412	6	119.1388	0.169	6	119.0016	0.407	9	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)2(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CC[5a]HH)	118.1755	0.496	2	118.1755	0.246	2	119.0016	0.407	9	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CH3)	119.8300	0.000	1	119.8300	0.000	1	119.0016	0.407	9	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(NHS)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]C)(CCHH)	124.1990	0.000	1	124.1990	0.000	1	124.1990	0.000	1	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)2(CH3)	118.7375	0.708	2	118.7375	0.501	2	118.7375	0.501	2	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Se-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SePdC)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SePdC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(CH3)	119.0500	2.442	2	119.0500	5.965	2	119.0500	5.965	2	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	119.3126	2.882	20	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCO){2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(H)	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	120.1010	0.000	1	120.1010	0.000	1	120.1010	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|H<1>,1|N<3>,7|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	118.2890	0.000	1	118.2890	0.000	1	119.4723	0.845	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NHP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	119.8667	0.578	3	119.8667	0.334	3	119.4723	0.845	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CHHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHN)(H)	121.6550	0.000	1	121.6550	0.000	1	122.2400	3.996	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.0010	0.000	1	120.0010	0.000	1	122.2400	3.996	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	124.8020	0.000	1	124.8020	0.000	1	122.2400	3.996	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)(H)	122.5020	0.000	1	122.5020	0.000	1	122.2400	3.996	4	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.2920	0.117	3	119.2920	0.014	3	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[3x6]O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.1960	0.000	1	121.1960	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[3])	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[3]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	117.8385	0.033	2	117.8385	0.001	2	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.4180	0.000	1	121.4180	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CFO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1390	0.000	1	120.1390	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.2670	0.000	1	121.2670	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.1470	0.000	1	120.1470	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]N)2(COO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N)2(COO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.2240	0.000	1	120.2240	0.000	1	119.8131	1.563	11	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[5a]HH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC[5a]HH)(H)	120.5470	0.000	1	120.5470	0.000	1	121.3193	2.294	6	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	122.6970	0.000	1	122.6970	0.000	1	121.3193	2.294	6	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	121.2340	0.000	1	121.2340	0.000	1	121.3193	2.294	6	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CBCH)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|H<1>,2|C<4>,4|C<3>}	N(C[6a]C[6a]2)(CBCH)(H)	119.9410	0.409	2	119.9410	0.167	2	121.3193	2.294	6	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,1|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	123.5560	0.000	1	123.5560	0.000	1	121.3193	2.294	6	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PN3)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NHP){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(PN3)(H)	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.0000	0.000	1	119.9635	2.149	2	119.9635	2.149	2	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9270	0.000	1	119.9635	2.149	2	119.9635	2.149	2	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	120.3480	0.769	2	120.3480	0.592	2	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	120.3740	0.000	1	120.5230	0.347	3	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	120.5975	0.812	2	120.5230	0.347	3	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.4050	0.000	1	121.4050	0.000	1	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CCHH)(H)	116.7360	0.696	2	117.8517	2.382	4	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.8850	0.000	1	117.8517	2.382	4	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	118.0500	0.000	1	117.8517	2.382	4	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	117.8457	0.534	12	117.8457	0.286	12	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeC)	N(C[6a]C[6a]2)(CC[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NFeC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]HN)(H)	119.5260	0.000	1	119.5260	0.000	1	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CCHH)(H)	119.1450	0.000	1	119.1450	0.000	1	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.0690	0.000	1	119.0690	0.000	1	118.6786	1.956	25	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.8803	1.448	6	119.8803	2.097	6	120.2458	2.829	10	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.5210	0.000	1	119.6395	0.028	2	120.2458	2.829	10	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.7580	0.000	1	119.6395	0.028	2	120.2458	2.829	10	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	123.8990	0.000	1	123.8990	0.000	1	120.2458	2.829	10	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]N)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]N)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NSS){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9980	0.000	1	119.9980	0.000	1	120.2458	2.829	10	119.7731	3.127	70	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,4|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	118.8863	0.203	3	118.8863	0.041	3	118.8863	0.041	3	118.8863	0.041	3	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CNO)	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	118.9270	1.631	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CCCH)(CNN)	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	118.9270	1.631	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NCC){1|H<1>,4|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	124.7350	0.000	1	124.7350	0.000	1	124.7350	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.3180	4.349	2	120.3180	18.911	2	120.3180	18.911	2	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6,6]-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<2>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.8590	0.000	1	120.3533	0.803	3	120.3533	0.803	3	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.1005	1.105	2	120.3533	0.803	3	120.3533	0.803	3	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	120.3735	1.058	4	120.3735	1.119	4	120.3735	1.119	4	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	N(C[6a]C[6a]2)(PPdNO)(CH3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCP){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|N<3>,2|H<1>,6|C<3>}	N(C[6a]C[6a]2)(PPdNO)(CH3)	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(BC[6a]O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.1315	0.398	2	119.1315	0.158	2	119.1315	0.158	2	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(B[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.9705	0.033	2	119.9705	0.001	2	119.9705	0.001	2	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CHN){2|Br<1>,1|C<3>}	N(C[6a]C[6a]2)(CH3)2	117.7830	0.000	1	117.7830	0.000	1	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5])	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(NCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|F<1>}	N(C[6a]C[6a]2)(CC[5]HH)(CH3)	119.3710	0.000	1	119.3710	0.000	1	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	116.9740	0.000	1	116.9740	0.000	1	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	120.0000	0.000	1	120.0000	0.000	1	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	121.4230	0.000	1	121.4230	0.000	1	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	122.4210	3.934	2	122.4210	15.479	2	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CHHP)2	122.5234	2.371	5	122.5234	5.623	5	121.0842	7.629	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	N(C[6a]C[6a]2)(SCOO)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(CC3)	118.9915	0.189	2	118.9915	0.036	2	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.2220	0.000	1	119.2220	0.000	1	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.4050	0.000	1	118.4050	0.000	1	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5])	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5]){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[5]OO)(CH3)	118.8760	0.000	1	118.8760	0.000	1	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	119.3805	0.337	6	119.3805	0.114	6	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO)	N(C[6a]C[6a]2)(SCOO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(COO){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(SCOO)(CH3)	121.3600	0.000	1	121.3600	0.000	1	119.3441	0.549	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){2|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	120.1610	0.000	1	120.1610	0.000	1	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CH3)	119.7880	0.000	1	119.7880	0.000	1	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|B<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.2350	0.000	1	119.5999	0.633	10	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|P<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.5670	0.120	2	119.5999	0.633	10	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|P<4>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.4300	0.444	3	119.5999	0.633	10	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N(C[6a]C[6a]2)(CH3)2	118.9170	0.000	1	119.5999	0.633	10	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CH3)2	118.8077	0.482	3	119.5999	0.633	10	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)2{2|H<1>,2|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	119.0210	0.000	1	119.0210	0.000	1	119.6130	0.532	13	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	117.7055	0.432	2	118.2283	0.457	6	118.2283	0.457	6	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2N)(CH3)	118.4898	0.653	4	118.2283	0.457	6	118.2283	0.457	6	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:I-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(IOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CHHN)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHN)2	119.5040	0.000	1	119.5040	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|F<1>}	N(C[6a]C[6a]2)(CH3)2	120.4900	0.000	1	120.4900	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	119.5053	0.365	4	119.5053	0.133	4	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	116.0210	0.000	1	116.0210	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)2	122.1640	0.597	2	122.1640	0.356	2	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(CCHH)	118.3730	0.000	1	118.3730	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.1893	1.068	3	120.1893	1.140	3	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CH3)2	120.9770	0.000	1	120.9770	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(CH3)	120.0140	0.000	1	120.0140	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Cu)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]Cu){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9510	0.000	1	118.9510	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS)	N(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHS){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCCH)2	116.9630	0.000	1	116.9630	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)2	123.2260	0.000	1	123.2260	0.000	1	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	122.9175	1.341	2	122.9175	1.799	2	120.1636	3.812	20	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(InCoNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(InCoNN)(CHHP)	118.6907	0.323	3	118.6907	0.104	3	118.9540	0.210	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:In-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)(InNiNN)(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NInC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(InNiNN)(CHHP)	119.0418	0.477	9	119.0418	0.228	9	118.9540	0.210	12	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CH3)2	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.6887	1.452	3	118.6887	2.108	3	118.4555	1.623	4	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PSnC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PSnC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.7560	0.000	1	117.7560	0.000	1	118.4555	1.623	4	119.8316	3.247	99	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	125.2210	0.000	1	125.2210	0.000	1	125.2210	0.000	1	122.2495	17.660	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	119.2780	0.000	1	119.2780	0.000	1	119.2780	0.000	1	122.2495	17.660	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,3|C<3>,3|H<1>}	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	120.8305	0.622	2	120.8305	0.386	2	120.8305	0.386	2	120.8305	0.386	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6,6a]C[6a])(H)2	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(H)2	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.4380	0.000	1	120.4380	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.5770	0.000	1	120.5770	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.5590	0.000	1	119.5590	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.9950	0.000	1	120.5250	1.007	5	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.1880	0.000	1	120.5250	1.007	5	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(H)2	118.7640	0.000	1	120.5250	1.007	5	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(H)2	121.0270	0.000	1	120.5250	1.007	5	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.6510	0.000	1	120.5250	1.007	5	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.0258	0.337	4	121.0258	0.113	4	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.2720	0.000	1	121.2720	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNOV)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNOV){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.9570	0.000	1	122.9570	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.3420	0.000	1	122.3420	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6,6]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.1080	0.000	1	119.1080	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	120.0370	0.000	1	120.0370	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	119.8120	0.000	1	119.8120	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	118.5840	0.000	1	120.5160	7.465	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	122.4480	0.000	1	120.5160	7.465	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(H)2	119.4145	1.142	2	119.4145	1.304	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.7525	0.612	2	119.7525	0.374	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.6360	0.857	2	119.6360	0.734	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	120.0000	1.377	2	120.0000	1.897	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2C){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.0070	0.252	2	120.0070	0.063	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.9950	0.242	4	119.9725	0.037	6	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|Cl<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	119.9275	0.076	2	119.9725	0.037	6	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.1570	1.836	4	120.1570	3.371	4	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.5725	0.850	6	119.8338	0.327	24	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(H)2	119.8639	0.455	14	119.8338	0.327	24	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<4>,2|C<3>}	N(C[6a]C[6a]2)(H)2	120.1200	0.399	4	119.8338	0.327	24	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.1094	1.171	20	120.1094	1.372	20	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSi2H){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	119.5305	0.549	2	119.5305	0.302	2	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]C)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.8180	0.000	1	120.8180	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(NHH)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CH3){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(H)2	120.0140	0.000	1	120.0140	0.000	1	120.1141	0.988	88	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(H)2	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	121.4025	0.510	2	121.6382	0.584	24	121.6075	0.584	25	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	121.6596	0.789	22	121.6382	0.584	24	121.6075	0.584	25	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnHH)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NZnHH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8700	0.000	1	120.8700	0.000	1	121.6075	0.584	25	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.7410	0.000	1	122.7410	0.000	1	122.5337	1.691	6	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(H)2	120.8280	0.000	1	121.9240	0.649	4	122.5337	1.691	6	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(H)2	122.2893	0.416	3	121.9240	0.649	4	122.5337	1.691	6	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SO3){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[6a]2)(H)2	124.7650	0.000	1	124.7650	0.000	1	122.5337	1.691	6	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H)	N(C[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(H)2	123.3250	0.000	1	123.3250	0.000	1	123.3250	0.000	1	120.5747	1.521	123	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	C[6a](C[6a]C[6a]N)2(CH3)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N)2(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(OH)(H)	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	118.0720	4.494	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se)	N(C[6a]C[6a]2)(NC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Se){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a])(H)	119.5710	0.000	1	119.5710	0.000	1	119.5710	0.000	1	118.0720	4.494	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	118.9885	0.798	2	118.9885	0.637	2	118.9885	0.637	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	119.3280	1.220	2	119.3280	1.490	2	119.3280	1.490	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B-3:H-1:	C[6a](C[6a]C[6a]C)2(NBH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(BNN)(H)	119.4240	0.412	2	119.4240	0.169	2	119.4240	0.169	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]N)(H)	121.0660	0.000	1	121.0660	0.000	1	119.3420	0.819	10	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	120.3860	0.000	1	120.3860	0.000	1	119.3420	0.819	10	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.3245	0.211	2	119.3245	0.045	2	119.3420	0.819	10	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CNN)(H)	119.0365	0.522	4	119.0365	0.273	4	119.3420	0.819	10	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6a]C[6a]2)(CC[6a]O)(H)	118.5865	0.962	2	118.5865	0.926	2	119.3420	0.819	10	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	119.1340	0.840	2	119.1340	0.706	2	119.1340	0.706	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){3|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.2040	0.000	1	121.2040	0.000	1	119.1900	8.112	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.1760	0.000	1	117.1760	0.000	1	119.1900	8.112	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.3050	1.851	2	120.3050	3.427	2	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.2780	0.000	1	120.2780	0.000	1	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	118.4111	0.461	22	118.4111	0.212	22	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(H)	120.0785	1.148	2	120.0785	1.317	2	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)2(H)	120.8430	0.000	1	120.8430	0.000	1	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.1715	1.348	6	119.1715	1.817	6	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.8242	2.335	6	119.7371	3.967	8	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.4760	0.564	2	119.7371	3.967	8	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.3155	0.491	2	119.3155	0.242	2	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	119.4560	1.115	4	119.4560	1.243	4	119.0899	1.566	48	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(NCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NCH)(H)	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2)(H)	119.8260	1.276	2	119.8260	1.627	2	119.8260	1.627	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[4]C[4]2H){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PNiCC)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PNiCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)2(H)	119.0400	0.898	2	119.0400	0.806	2	119.0400	0.806	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6a]H)(H)	118.7230	0.117	2	118.7230	0.014	2	118.7230	0.014	2	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(SNOO){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(H)	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	119.2453	1.659	78	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(COO)(OH)	121.3050	2.268	2	121.3050	5.146	2	120.5367	4.344	3	120.2387	1.720	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO)	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CNO)(OC)	119.0000	0.000	1	119.0000	0.000	1	120.5367	4.344	3	120.2387	1.720	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	120.3145	0.298	2	120.3145	0.089	2	120.0152	0.390	4	120.2387	1.720	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:Ge-2:	C[6a](C[6a]C[6a]C)2(NGeP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	119.7160	0.850	2	119.7160	0.722	2	120.0152	0.390	4	120.2387	1.720	7	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCO)2	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	120.7593	3.352	11	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	119.4470	1.877	4	119.4470	3.523	4	120.0290	2.422	8	120.7593	3.352	11	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)3	120.6110	1.107	4	120.6110	1.226	4	120.0290	2.422	8	120.7593	3.352	11	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PIrCC)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PIrCC){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)3	122.4080	0.617	2	122.4080	0.380	2	122.4080	0.380	2	120.7593	3.352	11	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	122.8180	0.000	1	122.8180	0.000	1	121.7795	2.157	2	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	120.7410	0.000	1	120.7410	0.000	1	121.7795	2.157	2	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	121.0260	0.000	1	120.1642	1.659	4	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.8770	1.412	3	120.1642	1.659	4	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	120.1471	1.957	25	120.0478	3.934	26	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(CCHH)	117.5650	0.000	1	120.0478	3.934	26	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	119.2170	0.000	1	119.2170	0.000	1	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|P<3>}	N(C[6a]C[6a]2)2(CH3)	121.3360	1.923	2	121.2022	2.020	6	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|Br<1>,1|C<3>,1|P<4>}	N(C[6a]C[6a]2)2(CH3)	121.1352	1.454	4	121.2022	2.020	6	120.2251	3.361	37	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CIrCH)	N(C[6a]C[6a]2)2(PIrOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CIrCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PIrOO)	120.1975	0.479	8	120.1975	0.230	8	120.2543	0.295	12	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNiCH)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNiCH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PNiOO)	120.3680	0.722	4	120.3680	0.521	4	120.2543	0.295	12	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Cu)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Cu){1|Br<1>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)2(CH3)	118.8295	0.765	4	118.8295	0.585	4	118.8295	0.585	4	120.1865	2.606	55	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH)	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[5a]CH)(H)	119.5870	0.000	1	119.5870	0.000	1	118.9980	0.263	3	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCHH){1|Br<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)	118.7035	0.073	2	118.7035	0.005	2	118.9980	0.263	3	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]H)(NHS){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CH3){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.4820	0.000	1	120.4820	0.000	1	120.4820	0.000	1	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CC3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(H)	122.7810	0.000	1	122.7810	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.3285	0.467	2	119.3285	0.218	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|F<1>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.7120	0.000	1	120.7120	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CCHH)(H)	121.4960	0.000	1	121.4960	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	121.4280	0.000	1	121.4280	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	119.3120	0.000	1	119.3120	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	120.8375	0.298	2	120.8375	0.089	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(C[6a]C[6a]2)(CC[5a]2C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[5a]2C)(H)	119.9290	0.000	1	119.9290	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.2060	0.315	2	119.2060	0.099	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	117.9130	0.000	1	117.9130	0.000	1	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.7465	1.937	4	119.7465	3.751	4	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	122.8867	1.568	3	122.8867	2.459	3	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC3)(H)	119.7802	1.187	4	119.7802	1.409	4	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	119.8070	1.624	10	119.8070	2.636	10	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.6900	2.132	4	119.6900	4.546	4	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CH)(H)	119.8200	3.478	2	119.8200	12.093	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.6082	1.163	14	119.6082	1.352	14	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC3)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC3)(H)	119.8715	0.689	2	119.8715	0.475	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	119.9866	0.675	8	120.0542	0.575	14	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)(H)	120.1443	0.916	6	120.0542	0.575	14	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]CC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(H)	120.0113	0.659	4	120.0113	0.434	4	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	119.9690	1.007	2	119.9690	1.014	2	120.0073	1.967	76	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(C[5]C[5]2H)(H)	125.1470	0.000	1	125.1470	0.000	1	125.1470	0.000	1	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2H){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	120.0180	0.134	2	120.0180	0.018	2	119.8270	1.147	4	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	119.6360	1.810	2	119.6360	3.277	2	119.8270	1.147	4	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Ga-4:H-1:	C[6a](C[6a]C[6a]C)2(NGaH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	C[6a](C[6a]C[6a]C)2(NGaH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(GaN[3x6]HN)(H)	120.5118	0.969	4	120.5118	0.938	4	120.5118	0.938	4	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	119.0800	2.059	2	119.0800	4.240	2	119.1710	0.672	10	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	119.2540	1.041	2	119.2540	1.083	2	119.1710	0.672	10	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(NHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(NHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(PO3)(H)	119.1737	0.372	6	119.1737	0.139	6	119.1710	0.672	10	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.3054	1.103	5	119.3054	1.217	5	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]CC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.1180	0.000	1	119.1180	0.000	1	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.0150	0.000	1	120.0150	0.000	1	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.6010	0.000	1	118.6010	0.000	1	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]CH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.8470	0.000	1	120.8470	0.000	1	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SCOO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SCOO)(H)	120.1200	0.000	1	120.1200	0.000	1	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6200	0.913	3	120.7987	0.378	11	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	121.0380	0.739	4	120.7987	0.378	11	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	120.6935	0.185	4	120.7987	0.378	11	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C)2(NHS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C)2(NHS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	118.9650	0.936	6	118.9650	0.876	6	119.9187	1.237	27	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC3)(H)	119.9685	0.207	2	119.9685	0.043	2	120.0513	0.229	6	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	119.9860	1.004	2	119.9860	1.008	2	120.0513	0.229	6	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]C)2(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(SiCCO)(H)	120.1995	0.165	2	120.1995	0.027	2	120.0513	0.229	6	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	120.7440	0.000	1	120.7440	0.000	1	121.3165	0.656	2	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(H)	121.8890	0.000	1	121.8890	0.000	1	121.3165	0.656	2	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Ru)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Ru){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)(H)	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCHH)(H)	125.9690	0.000	1	125.9690	0.000	1	123.7725	9.649	2	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(H)	121.5760	0.000	1	121.5760	0.000	1	123.7725	9.649	2	120.0424	2.024	137	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(OH)	120.7260	0.000	1	120.7260	0.000	1	119.5886	9.238	10	119.5886	9.238	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	121.3137	5.544	3	119.4622	10.213	9	119.5886	9.238	10	119.5886	9.238	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC3)(OH)	117.7913	0.330	3	119.4622	10.213	9	119.5886	9.238	10	119.5886	9.238	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC3)(OH)	119.2817	0.794	3	119.4622	10.213	9	119.5886	9.238	10	119.5886	9.238	10	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(NCS)	123.0180	0.389	2	123.0180	0.151	2	123.0180	0.151	2	123.0180	0.151	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCCO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCCO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.5005	6.696	2	119.5005	44.831	2	119.6587	16.893	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.8230	6.807	2	120.8230	46.330	2	119.6587	16.893	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]CO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	117.0300	0.000	1	117.0300	0.000	1	119.6587	16.893	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CC[6a]HO){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	120.3770	0.000	1	120.3770	0.000	1	119.6587	16.893	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CHHN){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	119.5570	0.000	1	119.5570	0.000	1	119.6587	16.893	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2Re)	N(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2Re){1|H<1>,2|C<3>}	N(C[6a]C[6a,6a]C[6a])(CH3)2	125.1315	0.363	2	125.1315	0.132	2	125.1315	0.132	2	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CB[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.7180	0.000	1	118.7180	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CH3)2	119.1890	0.000	1	119.1890	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCHH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	116.4530	0.000	1	116.4530	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]HH){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.9470	0.000	1	118.9470	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.9080	0.000	1	119.9935	0.015	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.0790	0.000	1	119.9935	0.015	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.8550	0.000	1	118.8550	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CHHS)2	119.2120	0.000	1	118.3880	1.358	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CHHS)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CHHS)2	117.5640	0.000	1	118.3880	1.358	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]HH)	124.5760	0.000	1	124.5760	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC3)	124.2830	0.000	1	124.2830	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)	123.3150	0.000	1	123.3150	0.000	1	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.9557	0.423	3	123.8093	0.100	7	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.8900	0.000	1	123.8093	0.100	7	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.6680	0.000	1	123.8093	0.100	7	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	123.6200	0.280	2	123.8093	0.100	7	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)(CHHN)	123.1345	0.110	2	123.1345	0.012	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CH3){1|B<3>,1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CH3)2	120.0115	3.451	2	120.0115	11.912	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]HH)2	119.4873	2.791	4	119.4873	7.788	4	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	119.8625	3.975	2	119.8625	15.798	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CCHH)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CCHH)2	119.7608	3.545	4	119.7608	12.567	4	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|P<3>}	N(C[6a]C[6a]2)(CH3)2	120.2690	3.610	2	120.2690	13.036	2	120.8946	7.978	35	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:S-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH)	N(C[6a]C[6a]2)(CCHH)(SCOO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCS){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(CCHH){3|C<3>}	N(C[6a]C[6a]2)(CCHH)(SCOO)	118.1365	1.768	4	118.1365	3.125	4	118.1365	3.125	4	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC3){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	122.3070	0.000	1	122.3070	0.000	1	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	120.3710	0.000	1	120.3710	0.000	1	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.9985	1.241	2	118.9985	1.540	2	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCFF){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	118.2830	0.000	1	118.2830	0.000	1	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN)	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]HN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CH3)	125.3940	0.000	1	125.3940	0.000	1	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CHHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCHH)	118.1640	0.000	1	118.1640	0.000	1	120.3594	7.253	7	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	116.9680	0.351	3	116.9680	0.123	3	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2O){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.1800	0.000	1	119.1800	0.000	1	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2Rh){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.5520	0.000	1	118.5520	0.000	1	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]IrC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]IrC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.2970	0.930	3	120.2970	0.865	3	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Pd2)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]Pd2){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.3950	0.000	1	118.3950	0.000	1	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PdC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]PdC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.0120	1.614	4	120.0120	2.607	4	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]ReC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]ReC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	117.5850	0.000	1	117.5850	0.000	1	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RhC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	119.8067	1.389	3	119.8067	1.928	3	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]RuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	118.8878	1.324	5	118.8878	1.753	5	119.0643	2.225	22	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO)	N(C[6a]C[6a]2)(CCCH)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CCCH)(CCHH)	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]PtC)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]PtC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CH3)2	120.1600	0.000	1	120.1600	0.000	1	120.1210	0.003	2	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RuC)	N(C[6a]C[6a]2)(CRuHH)(CH3)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SiC[6a]RuC){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CRuHH)(CH3)	120.0820	0.000	1	120.0820	0.000	1	120.1210	0.003	2	120.1777	7.411	80	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	N(CC[5a]C[6a]C)(C[6a]C[6a]2)(H)	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	120.2505	3.323	2	120.2505	11.040	2	119.9860	2.736	8	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)	119.8125	0.845	4	119.8125	0.714	4	119.9860	2.736	8	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|C<4>}	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	120.0685	2.386	2	120.0685	5.695	2	119.9860	2.736	8	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	118.5100	0.000	1	118.5100	0.000	1	119.1880	1.011	3	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	119.5270	1.154	2	119.5270	1.332	2	119.1880	1.011	3	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	In[6]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(NIn[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH)	N(In[6]N[6]2N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NIn[6]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	N(In[6]N[6]2N)(C[6a]C[6a]2)(H)	120.1055	2.693	2	120.1055	7.254	2	120.1055	7.254	2	119.7811	2.330	14	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CRhCH)	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CRhCH){1|C<3>,2|H<1>}	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	120.4095	0.648	2	120.4095	0.420	2	120.4095	0.420	2	120.4095	0.420	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]HH){1|C<3>,2|H<1>}	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(H)2	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	122.5385	0.025	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:1:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6]C[6]2Ru)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]2Ru)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,4|H<1>}	N(C[6a]C[6a]2)(H)2	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	122.5385	0.025	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	N(C[6a]C[6a]2)(SC[6a]OO)(H)	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	119.9580	0.002	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)(H)	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	119.9580	0.002	2	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S-4:C-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	120.9840	0.000	1	120.9840	0.000	1	120.9840	0.000	1	120.9840	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CH3)2	117.8750	0.000	1	117.8750	0.000	1	117.8750	0.000	1	117.8750	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094
643	643	956	0:SP2_SP2_SP3	C[6a]	C[6a]	N	3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N-3:	C-4:C[6a]-3:C[6a]-3:	C-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C[6a](CC[6a]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(CC[6a]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	120.6730	3.429	4803	120.5458	3.906	5094